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1086379-53-4 | 4-(6-Chloropyrazin-2-yl)benzoic acid
CAS No: 1086379-53-4 Catalog No: AG01FDAX MDL No:
Product Description
Catalog Number:
AG01FDAX
Chemical Name:
4-(6-Chloropyrazin-2-yl)benzoic acid
CAS Number:
1086379-53-4
Molecular Formula:
C11H7ClN2O2
Molecular Weight:
234.6385
IUPAC Name:
4-(6-chloropyrazin-2-yl)benzoic acid
InChI:
InChI=1S/C11H7ClN2O2/c12-10-6-13-5-9(14-10)7-1-3-8(4-2-7)11(15)16/h1-6H,(H,15,16)
InChI Key:
CFAXENPLOVZDDF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cncc(n1)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.639g/mol
Monoisotopic Mass:
234.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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