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1001401-62-2 | Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-
CAS No: 1001401-62-2 Catalog No: AG00012J MDL No:MFCD20486491
Product Description
Catalog Number:
AG00012J
Chemical Name:
Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-
CAS Number:
1001401-62-2
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD20486491
IUPAC Name:
2-(triazol-2-yl)benzoic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H,(H,13,14)
InChI Key:
UTENUPFWBIFKPW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1n1nccn1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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