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4-Bromo-3-(bromomethyl)benzonitrile

4-Bromo-3-(bromomethyl)benzonitrile - CAS 190197-86-5

Catalog:	BB014703
Product Name:	4-Bromo-3-(bromomethyl)benzonitrile
CAS:	190197-86-5
Synonyms:	4-bromo-3-(bromomethyl)benzonitrile; 4-bromo-3-(bromomethyl)benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-3-(bromomethyl)benzonitrile
Description:	4-Bromo-3-(bromomethyl)benzonitrile (CAS# 190197-86-5) is a useful research chemical.
Molecular Weight:	274.94
Molecular Formula:	C8H5Br2N
Canonical SMILES:	C1=CC(=C(C=C1C#N)CBr)Br
InChI:	InChI=1S/C8H5Br2N/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2
InChI Key:	AEXYSQSKOJJWLK-UHFFFAOYSA-N
LogP:	3.21568

Publication Number	Title	Priority Date
EP-3452038-A1	Process for the preparation of intermediates useful in the preparation of hepatitis c virus (hcv) inhibitors	20160505
US-2017320885-A1	Process for the preparation of intermediates useful in the preparation of hepatitis c virus (hcv) inhibitors	20160505
US-9957279-B2	Process for the preparation of intermediates useful in the preparation of Hepatitis C virus (HCV) inhibitors	20160505
WO-2017191546-A1	Process for the preparation of intermediates useful in the preparation of hepatitis c virus (hcv) inhibitors	20160505
CA-2959712-A1	Boron-containing small molecules	20160302

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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