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14815-87-3 | Benzoic acid, 4-(trichloromethyl)-, methyl ester
CAS No: 14815-87-3 Catalog No: AG001FHL MDL No:MFCD00511226
Product Description
Catalog Number:
AG001FHL
Chemical Name:
Benzoic acid, 4-(trichloromethyl)-, methyl ester
CAS Number:
14815-87-3
Molecular Formula:
C9H7Cl3O2
Molecular Weight:
253.5097
MDL Number:
MFCD00511226
IUPAC Name:
methyl 4-(trichloromethyl)benzoate
InChI:
InChI=1S/C9H7Cl3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChI Key:
PWFPDRYHJFGZDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(Cl)(Cl)Cl
EC Number:
238-886-8
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.503g/mol
Monoisotopic Mass:
251.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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