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1020718-59-5 | Benzoic acid, 4-(6-chloro-2-pyrazinyl)-, methyl ester
CAS No: 1020718-59-5 Catalog No: AG0006J3 MDL No:MFCD09753806
Product Description
Catalog Number:
AG0006J3
Chemical Name:
Benzoic acid, 4-(6-chloro-2-pyrazinyl)-, methyl ester
CAS Number:
1020718-59-5
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
MDL Number:
MFCD09753806
IUPAC Name:
methyl 4-(6-chloropyrazin-2-yl)benzoate
InChI:
InChI=1S/C12H9ClN2O2/c1-17-12(16)9-4-2-8(3-5-9)10-6-14-7-11(13)15-10/h2-7H,1H3
InChI Key:
OTABOGNYIHUEIC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cncc(n1)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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