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87932-50-1 | 2-Chloro-3,4-dihydroxybenzoic acid
CAS No: 87932-50-1 Catalog No: AG0039O7 MDL No:MFCD20640292
Product Description
Catalog Number:
AG0039O7
Chemical Name:
2-Chloro-3,4-dihydroxybenzoic acid
CAS Number:
87932-50-1
Molecular Formula:
C7H5ClO4
Molecular Weight:
188.5652
MDL Number:
MFCD20640292
IUPAC Name:
2-chloro-3,4-dihydroxybenzoic acid
InChI:
InChI=1S/C7H5ClO4/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2,9-10H,(H,11,12)
InChI Key:
IEKVQMDBVWMVMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1Cl)O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.563g/mol
Monoisotopic Mass:
187.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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