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2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonyl chloride

2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonyl chloride

CAS: 927869-56-5

Formula: C10H10ClNO3S

SMILES: ClS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1

IUPAC: 2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl chloride

InChI: InChI=1S/C10H10ClNO3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)

Composition: C (46.25%), H (3.88%), Cl (13.65%), N (5.39%), O (18.48%), S (12.34%)

Molar Mass: 259.7

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.0069921
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QCHLNSXHASMIBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.98
Topological Polar Surface Area 63.24
Polarizability 24.28
Ring Count 2
Rotatable Bond Count 1

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