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115319-25-0 | Propanamide, 2,3-bis[(2,4-dinitrophenyl)amino]-
CAS No: 115319-25-0 Catalog No: AG000GLR MDL No:
Product Description
Catalog Number:
AG000GLR
Chemical Name:
Propanamide, 2,3-bis[(2,4-dinitrophenyl)amino]-
CAS Number:
115319-25-0
Molecular Formula:
C15H13N7O9
Molecular Weight:
435.3052
IUPAC Name:
2,3-bis(2,4-dinitroanilino)propanamide
InChI:
InChI=1S/C15H13N7O9/c16-15(23)12(18-11-4-2-9(20(26)27)6-14(11)22(30)31)7-17-10-3-1-8(19(24)25)5-13(10)21(28)29/h1-6,12,17-18H,7H2,(H2,16,23)
InChI Key:
LWYMODFZXAYKQZ-UHFFFAOYSA-N
SMILES:
NC(=O)C(Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.077g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
435.309g/mol
Monoisotopic Mass:
435.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
250A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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