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1614-12-6 | 1H-Benzotriazol-1-amine
CAS No: 1614-12-6 Catalog No: AG001SG5 MDL No:MFCD00132902
Product Description
Catalog Number:
AG001SG5
Chemical Name:
1H-Benzotriazol-1-amine
CAS Number:
1614-12-6
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
MDL Number:
MFCD00132902
IUPAC Name:
benzotriazol-1-amine
InChI:
InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2
InChI Key:
JCXKHYLLVKZPKE-UHFFFAOYSA-N
SMILES:
Nn1nnc2c1cccc2
UNII:
9EFF75BJ1O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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