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Home > Nitro Compounds > 874781-18-7
874781-18-7 | 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonoyl chloride
CAS No: 874781-18-7 Catalog No: AG00IEMC MDL No:MFCD03408011
Product Description
Catalog Number:
AG00IEMC
Chemical Name:
7-nitro-2,3-dihydro-1-benzofuran-5-sulfonoyl chloride
CAS Number:
874781-18-7
Molecular Formula:
C8H6ClNO5S
Molecular Weight:
263.6549
MDL Number:
MFCD03408011
IUPAC Name:
7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO5S/c9-16(13,14)6-3-5-1-2-15-8(5)7(4-6)10(11)12/h3-4H,1-2H2
InChI Key:
KFYKLVMQGONPLM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1OCC2)S(=O)(=O)Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.648g/mol
Monoisotopic Mass:
262.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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