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93805-11-9 | 1H-Benzotriazol-6-amine,hydrochloride (1:1)
CAS No: 93805-11-9 Catalog No: AG01FMCO MDL No:MFCD02683022
Product Description
Catalog Number:
AG01FMCO
Chemical Name:
1H-Benzotriazol-6-amine,hydrochloride (1:1)
CAS Number:
93805-11-9
Molecular Formula:
C6H7ClN4
Molecular Weight:
170.5996
MDL Number:
MFCD02683022
IUPAC Name:
2H-benzotriazol-5-amine;hydrochloride
InChI:
InChI=1S/C6H6N4.ClH/c7-4-1-2-5-6(3-4)9-10-8-5;/h1-3H,7H2,(H,8,9,10);1H
InChI Key:
MGMSFWOAKOLQEQ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nn[nH]2.Cl
EC Number:
298-492-7
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.6g/mol
Monoisotopic Mass:
170.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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