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6923-69-9 | 2-amino-3,4,5,6-tetrachlorobenzoic acid
CAS No: 6923-69-9 Catalog No: AG005KIM MDL No:
Product Description
Catalog Number:
AG005KIM
Chemical Name:
2-amino-3,4,5,6-tetrachlorobenzoic acid
CAS Number:
6923-69-9
Molecular Formula:
C7H3Cl4NO2
Molecular Weight:
274.9162
IUPAC Name:
2-amino-3,4,5,6-tetrachlorobenzoic acid
InChI:
InChI=1S/C7H3Cl4NO2/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)
InChI Key:
CJKYKXAESHUOOV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)c(Cl)c(c(c1Cl)Cl)Cl
NSC Number:
154376
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.889g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.906g/mol
Monoisotopic Mass:
272.892g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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