Home Halogens Butanedioic acid, 1-(chloromethyl) 4-(phenylmethyl) ester

Butanedioic acid, 1-(chloromethyl) 4-(phenylmethyl) ester

CAS No.:
143869-67-4
Catalog Number:
AG001IHX
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001IHX
Chemical Name:
Butanedioic acid, 1-(chloromethyl) 4-(phenylmethyl) ester
CAS Number:
143869-67-4
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
MDL Number:
MFCD01630814
IUPAC Name:
1-O-benzyl 4-O-(chloromethyl) butanedioate
InChI:
InChI=1S/C12H13ClO4/c13-9-17-12(15)7-6-11(14)16-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
CSQJMNMWWYYBBG-UHFFFAOYSA-N
SMILES:
ClCOC(=O)CCC(=O)OCc1ccccc1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.682g/mol
Monoisotopic Mass:
256.05g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties