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84797-54-6 | N-(2-Chloroethyl)-1H-benzo[d]imidazol-2-amine hydrochloride
CAS No: 84797-54-6 Catalog No: AG004RF6 MDL No:MFCD01014198
Product Description
Catalog Number:
AG004RF6
Chemical Name:
N-(2-Chloroethyl)-1H-benzo[d]imidazol-2-amine hydrochloride
CAS Number:
84797-54-6
Molecular Formula:
C9H11Cl2N3
Molecular Weight:
232.1097
MDL Number:
MFCD01014198
IUPAC Name:
N-(2-chloroethyl)-1H-benzimidazol-2-amine
InChI:
InChI=1S/C9H10ClN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13)
InChI Key:
YKNALGLNPRIOGR-UHFFFAOYSA-N
SMILES:
ClCCNc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.65g/mol
Monoisotopic Mass:
195.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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