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Home > Nitro Compounds > 546077-27-4
546077-27-4 | N-(2-METHOXY-4-NITROPHENYL)ETHANE-1-SULFONAMIDE
CAS No: 546077-27-4 Catalog No: AG01EIGR MDL No:MFCD03393752
Product Description
Catalog Number:
AG01EIGR
Chemical Name:
N-(2-METHOXY-4-NITROPHENYL)ETHANE-1-SULFONAMIDE
CAS Number:
546077-27-4
Molecular Formula:
C9H12N2O5S
Molecular Weight:
260.2670
MDL Number:
MFCD03393752
IUPAC Name:
N-(2-methoxy-4-nitrophenyl)ethanesulfonamide
InChI:
InChI=1S/C9H12N2O5S/c1-3-17(14,15)10-8-5-4-7(11(12)13)6-9(8)16-2/h4-6,10H,3H2,1-2H3
InChI Key:
LRLFEGMYOBTSIO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NS(=O)(=O)CC)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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