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16331-62-7 | 1,2-BENZISOXAZOLE-5-SULFONYL CHLORIDE
CAS No: 16331-62-7 Catalog No: AG001U0X MDL No:MFCD09937246
Product Description
Catalog Number:
AG001U0X
Chemical Name:
1,2-BENZISOXAZOLE-5-SULFONYL CHLORIDE
CAS Number:
16331-62-7
Molecular Formula:
C7H4ClNO3S
Molecular Weight:
217.6296
MDL Number:
MFCD09937246
IUPAC Name:
1,2-benzoxazole-5-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO3S/c8-13(10,11)6-1-2-7-5(3-6)4-9-12-7/h1-4H
InChI Key:
VOTYKHCJXKHHEQ-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)cno2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.623g/mol
Monoisotopic Mass:
216.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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