2-(1H-1,3-Benzodiazol-2-yl)-4-chloroaniline
Product Information
Molecular Formula
C13H10N3Cl
Molecular Weight
243.69
Description
Applications: 2-(1H-1,3-benzodiazol-2-yl)-4-chloroaniline is a useful research chemical.
Synonyms
2-(1H-benzimidazol-2-yl)-4-chloroaniline; 2-(1H-BENZIMIDAZOL-2-YL)-4-CHLOROBENZENAMINE; BENZENAMINE,2-(1H-BENZIMIDAZOL-2-YL)-4-CHLORO-; 2-(2-Amino-5-chlorophenyl)-1H-benzimidazole, C~13~H~10~ClN~3~;
IUPAC Name
2-(1H-benzimidazol-2-yl)-4-chloroaniline
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C13H10ClN3/c14-8-5-6-10(15)9(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2,(H,16,17)
InChI Key
GLQIZLCZHSQBLY-UHFFFAOYSA-N
Computed Properties
XLogP3
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
243.0563250 g/mol
Monoisotopic Mass
243.0563250 g/mol
Topological Polar Surface Area
54.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
273
Isotope Atom Count
0
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
Compound Is Canonicalized
Yes
