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2327-84-6 | Butanoic acid, 4-chloro-, phenylmethyl ester
CAS No: 2327-84-6 Catalog No: AG002MQD MDL No:
Product Description
Catalog Number:
AG002MQD
Chemical Name:
Butanoic acid, 4-chloro-, phenylmethyl ester
CAS Number:
2327-84-6
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
benzyl 4-chlorobutanoate
InChI:
InChI=1S/C11H13ClO2/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
YNNMVUZMFAPDHJ-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)OCc1ccccc1
Properties
Complexity:
165
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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