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Methyl 2'-(Bromomethyl)biphenyl-2-carboxylate

Methyl 2'-(Bromomethyl)biphenyl-2-carboxylate - CAS 38399-65-4

Catalog:	BB023657
Product Name:	Methyl 2'-(Bromomethyl)biphenyl-2-carboxylate
CAS:	38399-65-4
Synonyms:	2-[2-(bromomethyl)phenyl]benzoic acid methyl ester; methyl 2-[2-(bromomethyl)phenyl]benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-[2-(bromomethyl)phenyl]benzoate
Description:	Methyl 2'-(Bromomethyl)biphenyl-2-carboxylate (CAS# 38399-65-4) is a useful research chemical compound.
Molecular Weight:	305.17
Molecular Formula:	C15H13BrO2
Canonical SMILES:	COC(=O)C1=CC=CC=C1C2=CC=CC=C2CBr
InChI:	InChI=1S/C15H13BrO2/c1-18-15(17)14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-16/h2-9H,10H2,1H3
InChI Key:	WPLRHUGEKOPRMA-UHFFFAOYSA-N
Boiling Point:	423.5 °C at 760 mmHg
Density:	1.374 g/cm³
LogP:	4.03510

Publication Number	Title	Priority Date
WO-2006129120-A2	Benzotriazepinone derivatives	20050603
WO-2006129120-A9	Benzotriazepinone derivatives	20050603
FR-2687675-A1	NOVEL BICYCLIC DERIVATIVES OF PYRIDINE, PROCESS FOR THE PREPARATION THEREOF, NOVEL INTERMEDIATES OBTAINED, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME.	19920131
US-5420138-A	Bicyclic pyridines which are angiotensin II inhibitors	19920131
US-5650414-A	Method of inhibiting angiotensin effects	19920131

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Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	304.00989
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	304.00989
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4