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7478-72-0 | N-[[(2-CHLOROPHENYL)-(4-CHLOROPHENYL)METHYLIDENE]AMINO]-2,4-DINITRO-ANILINE
CAS No: 7478-72-0 Catalog No: AG005H9O MDL No:
Product Description
Catalog Number:
AG005H9O
Chemical Name:
N-[[(2-CHLOROPHENYL)-(4-CHLOROPHENYL)METHYLIDENE]AMINO]-2,4-DINITRO-ANILINE
CAS Number:
7478-72-0
Molecular Formula:
C19H12Cl2N4O4
Molecular Weight:
431.2290
IUPAC Name:
N-[(Z)-[(2-chlorophenyl)-(4-chlorophenyl)methylidene]amino]-2,4-dinitroaniline
InChI:
InChI=1S/C19H12Cl2N4O4/c20-13-7-5-12(6-8-13)19(15-3-1-2-4-16(15)21)23-22-17-10-9-14(24(26)27)11-18(17)25(28)29/h1-11,22H/b23-19-
InChI Key:
DULWYMBTCVYVBN-NMWGTECJSA-N
SMILES:
Clc1ccc(cc1)C(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccccc1Cl
NSC Number:
401522
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
430.024g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.229g/mol
Monoisotopic Mass:
430.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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