Home Other Building Blocks 4,5,6-trifluoro-1H-1,3-benzodiazol-2-amine

4,5,6-trifluoro-1H-1,3-benzodiazol-2-amine

CAS No.:
2138085-67-1
Catalog Number:
AG01EJLE
Molecular Formula:
C7H4F3N3
Molecular Weight:
187.1220
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Product Description
Catalog Number:
AG01EJLE
Chemical Name:
4,5,6-trifluoro-1H-1,3-benzodiazol-2-amine
CAS Number:
2138085-67-1
Molecular Formula:
C7H4F3N3
Molecular Weight:
187.1220
MDL Number:
MFCD31700435
IUPAC Name:
4,5,6-trifluoro-1H-benzimidazol-2-amine
InChI:
InChI=1S/C7H4F3N3/c8-2-1-3-6(5(10)4(2)9)13-7(11)12-3/h1H,(H3,11,12,13)
InChI Key:
KEMGNVQCRDBRRA-UHFFFAOYSA-N
SMILES:
Nc1[nH]c2c(n1)c(F)c(c(c2)F)F
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.125g/mol
Monoisotopic Mass:
187.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties