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30921-08-5 | Benzoic acid, (chlorobenzoyl)- (7CI,9CI)
CAS No: 30921-08-5 Catalog No: AG0031O2 MDL No:
Product Description
Catalog Number:
AG0031O2
Chemical Name:
Benzoic acid, (chlorobenzoyl)- (7CI,9CI)
CAS Number:
30921-08-5
Molecular Formula:
C14H9ClO3
Molecular Weight:
260.6725
IUPAC Name:
2-(2-chlorobenzoyl)benzoic acid
InChI:
InChI=1S/C14H9ClO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,(H,17,18)
InChI Key:
YTSWAXSUNMFKBE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)c1ccccc1Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.673g/mol
Monoisotopic Mass:
260.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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