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132496-77-6 | Benzoic acid, 3-chloro-4,5-dihydroxy-, methyl ester
CAS No: 132496-77-6 Catalog No: AG0010RA MDL No:
Product Description
Catalog Number:
AG0010RA
Chemical Name:
Benzoic acid, 3-chloro-4,5-dihydroxy-, methyl ester
CAS Number:
132496-77-6
Molecular Formula:
C8H7ClO4
Molecular Weight:
202.5918
IUPAC Name:
methyl 3-chloro-4,5-dihydroxybenzoate
InChI:
InChI=1S/C8H7ClO4/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,10-11H,1H3
InChI Key:
SWRZROKGZUCAQN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c(c(c1)Cl)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.59g/mol
Monoisotopic Mass:
202.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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