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1192547-87-7 | Benzoic acid, 4-chloro-3,5-dimethyl-, methyl ester
CAS No: 1192547-87-7 Catalog No: AG000P6K MDL No:MFCD22552976
Product Description
Catalog Number:
AG000P6K
Chemical Name:
Benzoic acid, 4-chloro-3,5-dimethyl-, methyl ester
CAS Number:
1192547-87-7
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD22552976
IUPAC Name:
methyl 4-chloro-3,5-dimethylbenzoate
InChI:
InChI=1S/C10H11ClO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,1-3H3
InChI Key:
YLDCLGVDBHWQBX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)C)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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