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CAS 1246815-34-8 manufacturers and suppliers on PharmaCompass

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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 Weight 244.23 g/mol
Molecular Formula C11H10F3N3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass244.10151206 g/mol
Monoisotopic Mass244.10151206 g/mol
Topological Polar Surface Area43.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity269
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
4637-24-5
Nilotinib
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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