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12002-27-6 | Benzoic acid, chlorinated
CAS No: 12002-27-6 Catalog No: AG000Q3R MDL No:
Product Description
Catalog Number:
AG000Q3R
Chemical Name:
Benzoic acid, chlorinated
CAS Number:
12002-27-6
IUPAC Name:
4-chlorobenzoic acid;2,4-dichlorobenzoic acid;2,6-dichlorobenzoic acid;2,4,6-trichlorobenzoic acid
InChI:
InChI=1S/C7H3Cl3O2.2C7H4Cl2O2.C7H5ClO2/c8-3-1-4(9)6(7(11)12)5(10)2-3;8-4-1-2-5(7(10)11)6(9)3-4;8-4-2-1-3-5(9)6(4)7(10)11;8-6-3-1-5(2-4-6)7(9)10/h1-2H,(H,11,12);2*1-3H,(H,10,11);1-4H,(H,9,10)
InChI Key:
AHEKUTUWCVGJRX-UHFFFAOYSA-N
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
763.829g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
764.028g/mol
Monoisotopic Mass:
759.835g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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