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Home > Nitro Compounds > 89303-31-1
89303-31-1 | Benzene, 1-methoxy-2-nitro-3-[(phenylsulfonyl)methyl]-
CAS No: 89303-31-1 Catalog No: AG003YN0 MDL No:
Product Description
Catalog Number:
AG003YN0
Chemical Name:
Benzene, 1-methoxy-2-nitro-3-[(phenylsulfonyl)methyl]-
CAS Number:
89303-31-1
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
IUPAC Name:
1-(benzenesulfonylmethyl)-3-methoxy-2-nitrobenzene
InChI:
InChI=1S/C14H13NO5S/c1-20-13-9-5-6-11(14(13)15(16)17)10-21(18,19)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChI Key:
ZZHUETFKENHGPI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1[N+](=O)[O-])CS(=O)(=O)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.32g/mol
Monoisotopic Mass:
307.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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