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16537-17-0 | Benzoic acid, 3-chloro-, 1,1-dimethylethyl ester
CAS No: 16537-17-0 Catalog No: AG001W4O MDL No:
Product Description
Catalog Number:
AG001W4O
Chemical Name:
Benzoic acid, 3-chloro-, 1,1-dimethylethyl ester
CAS Number:
16537-17-0
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
tert-butyl 3-chlorobenzoate
InChI:
InChI=1S/C11H13ClO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChI Key:
BNZMKPCWUHXVJW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)OC(C)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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