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860573-38-2 | Methanone,phenyl-2H-1,2,3-triazol-2-yl-
CAS No: 860573-38-2 Catalog No: AG004UBP MDL No:
Product Description
Catalog Number:
AG004UBP
Chemical Name:
Methanone,phenyl-2H-1,2,3-triazol-2-yl-
CAS Number:
860573-38-2
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
IUPAC Name:
phenyl(triazol-2-yl)methanone
InChI:
InChI=1S/C9H7N3O/c13-9(12-10-6-7-11-12)8-4-2-1-3-5-8/h1-7H
InChI Key:
NNGXBITUADYBKA-UHFFFAOYSA-N
SMILES:
O=C(n1nccn1)c1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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