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443955-61-1 | 4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride
CAS No: 443955-61-1 Catalog No: AG00DD8F MDL No:MFCD13176389
Product Description
Catalog Number:
AG00DD8F
Chemical Name:
4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl chloride
CAS Number:
443955-61-1
Molecular Formula:
C9H8ClNO3S2
Molecular Weight:
277.7477
MDL Number:
MFCD13176389
IUPAC Name:
4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO3S2/c10-16(13,14)6-1-2-8-7(5-6)11-9(12)3-4-15-8/h1-2,5H,3-4H2,(H,11,12)
InChI Key:
OGMMNAJRZGGJAT-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c(N1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.963g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.737g/mol
Monoisotopic Mass:
276.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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