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CAS 1246815-34-8 manufacturers and suppliers on PharmaCompass

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CAS 1246815-34-8

CAS 1246815-34-8

Chemistry, 1 End Use API, 21 Related Intermediates

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CAS 1246815-34-8

Also known as: 1246815-34-8, 3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)aniline

Molecular Formula

C₁₁H₁₀F₃N₃

Molecular Weight

244.23 g/mol

InChI Key

WWTGXYAJVXKEKL-FIBGUPNXSA-N

1 2D Structure

CAS 1246815-34-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)aniline

2.1.2 InChI

InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3/i1D3

2.1.3 InChI Key

WWTGXYAJVXKEKL-FIBGUPNXSA-N

2.1.4 Canonical SMILES

CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F

2.1.5 Isomeric SMILES

[2H]C([2H])([2H])C1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1246815-34-8

2. 3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)aniline

2.3 Create Date

2013-11-01

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀F₃N₃
Molecular Weight	244.23 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	244.10151206 g/mol
Monoisotopic Mass	244.10151206 g/mol
Topological Polar Surface Area	43.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Acharya Chemicals

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Acharya Group, providing everything you need in the chemical industry!

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India

Digital Content

5-(4-Methyl-1H-imidazol-1-yl)-3-nitrobenzotrifluoride

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CAS Number

916975-92-3

End Use API

Nilotinib

About the Company

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.

Acharya Chemicals

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Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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