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1020718-71-1 | Benzoic acid, 4-(6-chloro-2-pyrazinyl)-3-methyl-
CAS No: 1020718-71-1 Catalog No: AG0006IY MDL No:
Product Description
Catalog Number:
AG0006IY
Chemical Name:
Benzoic acid, 4-(6-chloro-2-pyrazinyl)-3-methyl-
CAS Number:
1020718-71-1
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
IUPAC Name:
4-(6-chloropyrazin-2-yl)-3-methylbenzoic acid
InChI:
InChI=1S/C12H9ClN2O2/c1-7-4-8(12(16)17)2-3-9(7)10-5-14-6-11(13)15-10/h2-6H,1H3,(H,16,17)
InChI Key:
VFJAUKRMTAPILA-UHFFFAOYSA-N
SMILES:
Clc1cncc(n1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
288
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:
1
Isotope Atom Count:
0
Molecular Weight:
248.666g/mol
Monoisotopic Mass:
248.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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