Home Halogens 4-chloroisophthalic acid

4-chloroisophthalic acid

CAS No.:
2845-85-4
Catalog Number:
AG00BC1U
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
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Product Description
Catalog Number:
AG00BC1U
Chemical Name:
4-chloroisophthalic acid
CAS Number:
2845-85-4
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD12027303
IUPAC Name:
4-chlorobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
APLYBKHRTXFIBT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(=O)O)Cl
NSC Number:
409493
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.988g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.574g/mol
Monoisotopic Mass:
199.988g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties