Home Halogens 2-[(4-chlorophenyl)methyl]pentanedioic acid

2-[(4-chlorophenyl)methyl]pentanedioic acid

CAS No.:
24867-04-7
Catalog Number:
AG01AHZR
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
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Product Description
Catalog Number:
AG01AHZR
Chemical Name:
2-[(4-chlorophenyl)methyl]pentanedioic acid
CAS Number:
24867-04-7
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
MDL Number:
MFCD09835777
IUPAC Name:
2-[(4-chlorophenyl)methyl]pentanedioic acid
InChI:
InChI=1S/C12H13ClO4/c13-10-4-1-8(2-5-10)7-9(12(16)17)3-6-11(14)15/h1-2,4-5,9H,3,6-7H2,(H,14,15)(H,16,17)
InChI Key:
WRYLMBSIVXCOPU-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1)Cl)CCC(=O)O
Properties
Complexity:
272  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
256.682g/mol
Monoisotopic Mass:
256.05g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties