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29234-88-6 | Benzoic acid, 4-chloro-, 2-methylpropyl ester
CAS No: 29234-88-6 Catalog No: AG002XSV MDL No:
Product Description
Catalog Number:
AG002XSV
Chemical Name:
Benzoic acid, 4-chloro-, 2-methylpropyl ester
CAS Number:
29234-88-6
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
2-methylpropyl 4-chlorobenzoate
InChI:
InChI=1S/C11H13ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
BWLDEQAGSZRTIV-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccc(cc1)Cl)C
NSC Number:
8293
Properties
Complexity:
184
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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