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

Patents

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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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

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