Home Other Building Blocks 4-(1H-1,3-benzodiazol-2-yl)aniline hydrochloride

4-(1H-1,3-benzodiazol-2-yl)aniline hydrochloride

CAS No.:
60837-27-6
Catalog Number:
AG01C0A9
Molecular Formula:
C13H12ClN3
Molecular Weight:
245.7075
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Product Description
Catalog Number:
AG01C0A9
Chemical Name:
4-(1H-1,3-benzodiazol-2-yl)aniline hydrochloride
CAS Number:
60837-27-6
Molecular Formula:
C13H12ClN3
Molecular Weight:
245.7075
MDL Number:
MFCD30497897
IUPAC Name:
4-(1H-benzimidazol-2-yl)aniline;hydrochloride
InChI:
InChI=1S/C13H11N3.ClH/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;/h1-8H,14H2,(H,15,16);1H
InChI Key:
PRALWBYTELUWMA-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.71g/mol
Monoisotopic Mass:
245.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties