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4-(Bromomethyl)benzenesulfonamide

4-(Bromomethyl)benzenesulfonamide - CAS 40724-47-8

Catalog:	BB024640
Product Name:	4-(Bromomethyl)benzenesulfonamide
CAS:	40724-47-8
Synonyms:	4-(bromomethyl)benzenesulfonamide; 4-(bromomethyl)benzenesulfonamide

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(bromomethyl)benzenesulfonamide
Description:	4-(Bromomethyl)benzenesulfonamide (CAS# 40724-47-8) is a useful research chemical.
Molecular Weight:	250.11
Molecular Formula:	C7H8BrNO2S
Canonical SMILES:	C1=CC(=CC=C1CBr)S(=O)(=O)N
InChI:	InChI=1S/C7H8BrNO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChI Key:	QNJHTLTUBNXLFS-UHFFFAOYSA-N
Boiling Point:	386.4 °C at 760 mmHg
Density:	1.691 g/cm³
MDL:	MFCD08752696
LogP:	3.01000

Publication Number	Title	Priority Date
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CN-111217833-B	Thieno [2,3-d ] pyrimidine HIV-1 non-nucleoside reverse transcriptase inhibitor and preparation method and application thereof	20200221

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94591
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	248.94591
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1