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Home > Nitro Compounds > 1261646-30-3
1261646-30-3 | Benzenesulfonyl chloride, 3-methoxy-4-nitro-
CAS No: 1261646-30-3 Catalog No: AG000RXX MDL No:MFCD18398367
Product Description
Catalog Number:
AG000RXX
Chemical Name:
Benzenesulfonyl chloride, 3-methoxy-4-nitro-
CAS Number:
1261646-30-3
Molecular Formula:
C7H6ClNO5S
Molecular Weight:
251.6442
MDL Number:
MFCD18398367
IUPAC Name:
3-methoxy-4-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO5S/c1-14-7-4-5(15(8,12)13)2-3-6(7)9(10)11/h2-4H,1H3
InChI Key:
PCZLTYVOXRKVCM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.966g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.637g/mol
Monoisotopic Mass:
250.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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