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1363382-34-6 | 2-Pyrazinecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester
CAS No: 1363382-34-6 Catalog No: AG0011PV MDL No:MFCD20926174
Product Description
Catalog Number:
AG0011PV
Chemical Name:
2-Pyrazinecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester
CAS Number:
1363382-34-6
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
MDL Number:
MFCD20926174
IUPAC Name:
methyl 3-(4-chlorophenyl)pyrazine-2-carboxylate
InChI:
InChI=1S/C12H9ClN2O2/c1-17-12(16)11-10(14-6-7-15-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChI Key:
HAGPLXHPHTWLHI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccnc1c1ccc(cc1)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.666g/mol
Monoisotopic Mass:
248.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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