Home Halogens 2-(carboxymethyl)-3-chlorobenzoic acid

2-(carboxymethyl)-3-chlorobenzoic acid

CAS No.:
22482-74-2
Catalog Number:
AG01BHHE
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
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Product Description
Catalog Number:
AG01BHHE
Chemical Name:
2-(carboxymethyl)-3-chlorobenzoic acid
CAS Number:
22482-74-2
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD19370530
IUPAC Name:
2-(carboxymethyl)-3-chlorobenzoic acid
InChI:
InChI=1S/C9H7ClO4/c10-7-3-1-2-5(9(13)14)6(7)4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key:
HARZEJOUACLTDB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Cl)cccc1C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.601g/mol
Monoisotopic Mass:
214.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties