Methyl 3'-Bromo-4'-methoxy-[1,1'-biphenyl]-4-carboxylate - CAS 166984-07-2

Catalog:	BB076866
Product Name:	Methyl 3'-Bromo-4'-methoxy-[1,1'-biphenyl]-4-carboxylate
CAS:	166984-07-2
Synonyms:	3'-Bromo-4'-methoxy-biphenyl-4-carboxylic acid methyl ester; Methyl 4-(3-bromo-4-methoxyphenyl)benzoate; Methyl 3'-bromo-4'-methoxy-[1,1'-biphenyl]-4-carboxylate; methyl 3'-bromo-4'-methoxybiphenyl-4-carboxylate

Technical Data

IUPAC Name:	methyl 4-(3-bromo-4-methoxyphenyl)benzoate
Description:	Methyl 3'-Bromo-4'-methoxy-[1,1'-biphenyl]-4-carboxylate is an intermediate in the synthesis of wholly aromatic polyesters.
Molecular Weight:	321.17
Molecular Formula:	C15H13BrO3
Canonical SMILES:	COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC)Br
InChI:	InChI=1S/C15H13BrO3/c1-18-14-8-7-12(9-13(14)16)10-3-5-11(6-4-10)15(17)19-2/h3-9H,1-2H3
InChI Key:	STNMJBRHLHFQIG-UHFFFAOYSA-N
References:	Huh, S., et al. Macromolecules, 30, 3005 (1997).

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	320.00481
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	320.00481
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1