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16220-95-4 | Benzoic acid, 2-chloro-5-methyl-, methyl ester
CAS No: 16220-95-4 Catalog No: AG001SVO MDL No:MFCD12025214
Product Description
Catalog Number:
AG001SVO
Chemical Name:
Benzoic acid, 2-chloro-5-methyl-, methyl ester
CAS Number:
16220-95-4
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD12025214
IUPAC Name:
methyl 2-chloro-5-methylbenzoate
InChI:
InChI=1S/C9H9ClO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3
InChI Key:
DLULLCMISBPNTK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)ccc1Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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