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13300-62-4 | Benzoic acid, 2,3-dichloro-6-nitro-
CAS No: 13300-62-4 Catalog No: AG0011IR MDL No:MFCD06208396
Product Description
Catalog Number:
AG0011IR
Chemical Name:
Benzoic acid, 2,3-dichloro-6-nitro-
CAS Number:
13300-62-4
Molecular Formula:
C7H3Cl2NO4
Molecular Weight:
236.0090
MDL Number:
MFCD06208396
IUPAC Name:
2,3-dichloro-6-nitrobenzoic acid
InChI:
InChI=1S/C7H3Cl2NO4/c8-3-1-2-4(10(13)14)5(6(3)9)7(11)12/h1-2H,(H,11,12)
InChI Key:
MWFKWTVYKGMWEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(ccc(c1Cl)Cl)[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.944g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.004g/mol
Monoisotopic Mass:
234.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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