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Home > Nitro Compounds > 1261587-04-5
1261587-04-5 | 2-methoxy-3-nitrobenzene-1-sulfonyl chloride
CAS No: 1261587-04-5 Catalog No: AG01BHHL MDL No:MFCD18398364
Product Description
Catalog Number:
AG01BHHL
Chemical Name:
2-methoxy-3-nitrobenzene-1-sulfonyl chloride
CAS Number:
1261587-04-5
Molecular Formula:
C7H6ClNO5S
Molecular Weight:
251.6442
MDL Number:
MFCD18398364
IUPAC Name:
2-methoxy-3-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO5S/c1-14-7-5(9(10)11)3-2-4-6(7)15(8,12)13/h2-4H,1H3
InChI Key:
UXCAWMJDALMRIF-UHFFFAOYSA-N
SMILES:
COc1c(cccc1S(=O)(=O)Cl)[N+](=O)[O-]
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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