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124985-64-4 | Benzoic acid, 2-[(3,4-dichlorophenyl)methyl]-5-nitro-
CAS No: 124985-64-4 Catalog No: AG000MXR MDL No:
Product Description
Catalog Number:
AG000MXR
Chemical Name:
Benzoic acid, 2-[(3,4-dichlorophenyl)methyl]-5-nitro-
CAS Number:
124985-64-4
Molecular Formula:
C14H9Cl2NO4
Molecular Weight:
326.1316
IUPAC Name:
2-[(3,4-dichlorophenyl)methyl]-5-nitrobenzoic acid
InChI:
InChI=1S/C14H9Cl2NO4/c15-12-4-1-8(6-13(12)16)5-9-2-3-10(17(20)21)7-11(9)14(18)19/h1-4,6-7H,5H2,(H,18,19)
InChI Key:
OQBLRYZKIWRZSY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cc1ccc(c(c1)Cl)Cl)[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.991g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.129g/mol
Monoisotopic Mass:
324.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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