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Home > Nitro Compounds > 34063-53-1
34063-53-1 | 1-NITRO-4-[(PHENYLSULFONYL)METHYL]BENZENE
CAS No: 34063-53-1 Catalog No: AG00JJZB MDL No:MFCD00099030
Product Description
Catalog Number:
AG00JJZB
Chemical Name:
1-NITRO-4-[(PHENYLSULFONYL)METHYL]BENZENE
CAS Number:
34063-53-1
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
MDL Number:
MFCD00099030
IUPAC Name:
1-(benzenesulfonylmethyl)-4-nitrobenzene
InChI:
InChI=1S/C13H11NO4S/c15-14(16)12-8-6-11(7-9-12)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChI Key:
YPRBJNYHZJWBGQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
629271
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.294g/mol
Monoisotopic Mass:
277.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase. | Antimicrobial agents and chemotherapy 19930401 |
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