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916080-53-0

916080-53-0 | Benzoic acid, 4-(3-chloro-2-oxopropyl)-, methyl ester

CAS No: 916080-53-0 Catalog No: AG006FSI MDL No:

Product Description

Catalog Number:
AG006FSI
Chemical Name:
Benzoic acid, 4-(3-chloro-2-oxopropyl)-, methyl ester
CAS Number:
916080-53-0
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
methyl 4-(3-chloro-2-oxopropyl)benzoate
InChI:
InChI=1S/C11H11ClO3/c1-15-11(14)9-4-2-8(3-5-9)6-10(13)7-12/h2-5H,6-7H2,1H3
InChI Key:
DWBNIQDDUYAZDP-UHFFFAOYSA-N
SMILES:
ClCC(=O)Cc1ccc(cc1)C(=O)OC

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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