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146139-53-9 | Benzoic acid, 2-(1H-pyrazol-1-yl)-, ethyl ester
CAS No: 146139-53-9 Catalog No: AG001DQN MDL No:MFCD10574970
Product Description
Catalog Number:
AG001DQN
Chemical Name:
Benzoic acid, 2-(1H-pyrazol-1-yl)-, ethyl ester
CAS Number:
146139-53-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD10574970
IUPAC Name:
ethyl 2-pyrazol-1-ylbenzoate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)10-6-3-4-7-11(10)14-9-5-8-13-14/h3-9H,2H2,1H3
InChI Key:
YVKARBPILHRMPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1n1cccn1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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