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140-18-1 | Acetic acid, 2-chloro-, phenylmethyl ester
CAS No: 140-18-1 Catalog No: AG001BWX MDL No:MFCD00157062
Product Description
Catalog Number:
AG001BWX
Chemical Name:
Acetic acid, 2-chloro-, phenylmethyl ester
CAS Number:
140-18-1
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00157062
IUPAC Name:
benzyl 2-chloroacetate
InChI:
InChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
SOGXBRHOWDEKQB-UHFFFAOYSA-N
SMILES:
ClCC(=O)OCc1ccccc1
EC Number:
205-400-0
NSC Number:
8061
Properties
Complexity:
142
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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