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4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE

4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE structure

CAS No:
29489-04-1
Formula:
C17H16BrNO3S
Chemical Name:
4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE
Synonyms:
4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE;4-Bromo-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one;Conivaptan hydrochloride Impurity H;4-bromo-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one;NSC 140796;4-bromo-1-tosyl-3,4-dihydro-1Hbenzo[b]azepin-5(2H)-one

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4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE Basic Attributes

Molecular Weight：

394.28

Exact Mass：

393.003418

NSC Number：

140796

DSSTox ID：

DTXSID40301048

Characteristics

PSA：

57.37000

XLogP3：

2.98

Density：

1.5±0.1 g/cm3

Melting Point：

128-130℃

Boiling Point：

524.1±60.0 °C at 760 mmHg

Flash Point：

270.8±32.9 °C

Refractive Index：

1.637

Computed Properties

Molecular Weight:394.3
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:393.00343
Monoisotopic Mass:393.00343
Topological Polar Surface Area:62.8
Heavy Atom Count:23
Complexity:537
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE

Basic Attributes
Characteristics
Computed Properties

4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE

SDS

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