Name: Name:2-Pyrazinecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester
Brand: Angene
SKU: AG0011PV
Rating: 90 (10 reviews)

2-Pyrazinecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester

CAS No.:

1363382-34-6

Catalog Number:

AG0011PV

Molecular Formula:

C12H9ClN2O2

Molecular Weight:

248.6651

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

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.666g/mol

Monoisotopic Mass:

248.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3