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127988-21-0 | Benzenamine, 2-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 127988-21-0 Catalog No: AG000XNH MDL No:MFCD09025845
Product Description
Catalog Number:
AG000XNH
Chemical Name:
Benzenamine, 2-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
127988-21-0
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD09025845
IUPAC Name:
2-(1,2,4-triazol-1-ylmethyl)aniline
InChI:
InChI=1S/C9H10N4/c10-9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChI Key:
CBGQHZNXHUCAGE-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Cn1cncn1
Properties
Complexity:
162
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:
0.2
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