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Home > Nitro Compounds > 1142-27-4
1142-27-4 | Sulfamic acid, N,N-dimethyl-, 4-nitrophenyl ester
CAS No: 1142-27-4 Catalog No: AG000ASO MDL No:
Product Description
Catalog Number:
AG000ASO
Chemical Name:
Sulfamic acid, N,N-dimethyl-, 4-nitrophenyl ester
CAS Number:
1142-27-4
Molecular Formula:
C8H10N2O5S
Molecular Weight:
246.2404
IUPAC Name:
(4-nitrophenyl) N,N-dimethylsulfamate
InChI:
InChI=1S/C8H10N2O5S/c1-9(2)16(13,14)15-8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3
InChI Key:
ABMFUZRWANUQNU-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-])C
EC Number:
214-533-3
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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