Home Other Building Blocks 2-(difluoromethyl)-1H-1,3-benzodiazol-5-amine

2-(difluoromethyl)-1H-1,3-benzodiazol-5-amine

CAS No.:
891831-55-3
Catalog Number:
AG01A33J
Molecular Formula:
C8H7F2N3
Molecular Weight:
183.1581
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Product Description
Catalog Number:
AG01A33J
Chemical Name:
2-(difluoromethyl)-1H-1,3-benzodiazol-5-amine
CAS Number:
891831-55-3
Molecular Formula:
C8H7F2N3
Molecular Weight:
183.1581
MDL Number:
MFCD11193511
IUPAC Name:
2-(difluoromethyl)-3H-benzimidazol-5-amine
InChI:
InChI=1S/C8H7F2N3/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2,(H,12,13)
InChI Key:
UTJQNINOXMUSDN-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc([nH]2)C(F)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.162g/mol
Monoisotopic Mass:
183.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties