3-Bromo-4-(bromomethyl)benzonitrile - CAS 89892-39-7

Catalog:	BB039681
Product Name:	3-Bromo-4-(bromomethyl)benzonitrile
CAS:	89892-39-7
Synonyms:	3-bromo-4-(bromomethyl)benzonitrile; 3-bromo-4-(bromomethyl)benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-(bromomethyl)benzonitrile
Description:	3-Bromo-4-(bromomethyl)benzonitrile (CAS# 89892-39-7) is a useful research chemical.
Molecular Weight:	274.94
Molecular Formula:	C8H5Br2N
Canonical SMILES:	C1=CC(=C(C=C1C#N)Br)CBr
InChI:	InChI=1S/C8H5Br2N/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChI Key:	MGQYEILVGLSMRU-UHFFFAOYSA-N
Boiling Point:	319.3 °C at 760 mmHg
Density:	1.92 g/cm³
LogP:	3.21568

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Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.87682
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.87887
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9