Shenzhen Haorui

CAS 1246815-34-8

Chemistry, 1 End Use API, 21 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

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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CAS Number

641569-94-0

End Use API

Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food a...

Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food additives. Meanwhile, it is assisting global pharmaceutical companies to get the domestic registration of their finished dosage for their international expansion. Our USFDA approved products Flumazenil, Granisetron HCl, Granisetron Base, Docetaxel Anhydrous, Irinotecan HCl, Dasatinib Monohydrate, Oxaliplatin and Temozolomide have been recognized by our customers globally. In addition, our Amisulpride API acquired CEP, UK GMP & USDMF.

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