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Home > Nitro Compounds > 61081-34-3
61081-34-3 | Benzene, 1-[(methylsulfonyl)methyl]-4-nitro-
CAS No: 61081-34-3 Catalog No: AG00IASY MDL No:MFCD27926301
Product Description
Catalog Number:
AG00IASY
Chemical Name:
Benzene, 1-[(methylsulfonyl)methyl]-4-nitro-
CAS Number:
61081-34-3
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD27926301
IUPAC Name:
1-(methylsulfonylmethyl)-4-nitrobenzene
InChI:
InChI=1S/C8H9NO4S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
XJQWZUJNHLGBQG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CS(=O)(=O)C
NSC Number:
147344
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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