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157846-00-9 | Benzenamine, 4-(2H-1,2,3-triazol-2-ylmethyl)-
CAS No: 157846-00-9 Catalog No: AG001PR4 MDL No:
Product Description
Catalog Number:
AG001PR4
Chemical Name:
Benzenamine, 4-(2H-1,2,3-triazol-2-ylmethyl)-
CAS Number:
157846-00-9
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
IUPAC Name:
4-(triazol-2-ylmethyl)aniline
InChI:
InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)7-13-11-5-6-12-13/h1-6H,7,10H2
InChI Key:
NJRZJZTXQXDDMV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1nccn1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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