Home Halogens 1-benzyl-6-chloro-1H-1,3-benzodiazol-2-amine

1-benzyl-6-chloro-1H-1,3-benzodiazol-2-amine

CAS No.:
1545791-31-8
Catalog Number:
AG01AM7O
Molecular Formula:
C14H12ClN3
Molecular Weight:
257.7182
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Product Description
Catalog Number:
AG01AM7O
Chemical Name:
1-benzyl-6-chloro-1H-1,3-benzodiazol-2-amine
CAS Number:
1545791-31-8
Molecular Formula:
C14H12ClN3
Molecular Weight:
257.7182
MDL Number:
MFCD23661174
IUPAC Name:
1-benzyl-6-chlorobenzimidazol-2-amine
InChI:
InChI=1S/C14H12ClN3/c15-11-6-7-12-13(8-11)18(14(16)17-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17)
InChI Key:
XRWYYFRAQIXZJP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n(Cc1ccccc1)c(n2)N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.721g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties