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83469-74-3 | Benzoic acid, 2-(2-chloro-4-hydroxybenzoyl)-
CAS No: 83469-74-3 Catalog No: AG004RDG MDL No:
Product Description
Catalog Number:
AG004RDG
Chemical Name:
Benzoic acid, 2-(2-chloro-4-hydroxybenzoyl)-
CAS Number:
83469-74-3
Molecular Formula:
C14H9ClO4
Molecular Weight:
276.6719
IUPAC Name:
2-(2-chloro-4-hydroxybenzoyl)benzoic acid
InChI:
InChI=1S/C14H9ClO4/c15-12-7-8(16)5-6-11(12)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,16H,(H,18,19)
InChI Key:
MNIHMGDRWRMAAO-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.672g/mol
Monoisotopic Mass:
276.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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