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Home > Nitro Compounds > 94511-45-2
94511-45-2 | Phosphoric triamide, N-methyl-N-(4-nitrophenyl)-
CAS No: 94511-45-2 Catalog No: AG00H6CC MDL No:
Product Description
Catalog Number:
AG00H6CC
Chemical Name:
Phosphoric triamide, N-methyl-N-(4-nitrophenyl)-
CAS Number:
94511-45-2
Molecular Formula:
C7H11N4O3P
Molecular Weight:
230.1610
IUPAC Name:
N-diaminophosphoryl-N-methyl-4-nitroaniline
InChI:
InChI=1S/C7H11N4O3P/c1-10(15(8,9)14)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3,(H4,8,9,14)
InChI Key:
XUUDVAUEFCLJJP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N(P(=O)(N)N)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.164g/mol
Monoisotopic Mass:
230.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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