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116621-21-7 | Benzoic acid, 2-chloro-4-hydroxy-6-methyl-, methyl ester
CAS No: 116621-21-7 Catalog No: AG000CWF MDL No:
Product Description
Catalog Number:
AG000CWF
Chemical Name:
Benzoic acid, 2-chloro-4-hydroxy-6-methyl-, methyl ester
CAS Number:
116621-21-7
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
IUPAC Name:
methyl 2-chloro-4-hydroxy-6-methylbenzoate
InChI:
InChI=1S/C9H9ClO3/c1-5-3-6(11)4-7(10)8(5)9(12)13-2/h3-4,11H,1-2H3
InChI Key:
YHXFLPHJEPQJSH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1Cl)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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