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Home > Nitro Compounds > 94511-60-1
94511-60-1 | Phosphoramidic dichloride, methyl(4-nitrophenyl)-
CAS No: 94511-60-1 Catalog No: AG00H6CB MDL No:
Product Description
Catalog Number:
AG00H6CB
Chemical Name:
Phosphoramidic dichloride, methyl(4-nitrophenyl)-
CAS Number:
94511-60-1
Molecular Formula:
C7H7Cl2N2O3P
Molecular Weight:
269.0218
IUPAC Name:
N-dichlorophosphoryl-N-methyl-4-nitroaniline
InChI:
InChI=1S/C7H7Cl2N2O3P/c1-10(15(8,9)14)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3
InChI Key:
LPVJYWJJXPXGJM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N(P(=O)(Cl)Cl)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.957g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.018g/mol
Monoisotopic Mass:
267.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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