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Home > Nitro Compounds > 1612-41-5
1612-41-5 | Benzene, 1-[(ethylsulfonyl)methyl]-4-nitro-
CAS No: 1612-41-5 Catalog No: AG00HYNG MDL No:MFCD22054831
Product Description
Catalog Number:
AG00HYNG
Chemical Name:
Benzene, 1-[(ethylsulfonyl)methyl]-4-nitro-
CAS Number:
1612-41-5
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD22054831
IUPAC Name:
1-(ethylsulfonylmethyl)-4-nitrobenzene
InChI:
InChI=1S/C9H11NO4S/c1-2-15(13,14)7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
QRLVYWVPKPUBJJ-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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