Name: Name:Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester
Brand: Angene
SKU: AG002D3A
Rating: 90 (10 reviews)

Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester

CAS No.:

200956-56-5

Catalog Number:

AG002D3A

Molecular Formula:

C9H7BrF2O3

Molecular Weight:

281.0509

Catalog Number:

AG002D3A

Chemical Name:

Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester

CAS Number:

200956-56-5

Molecular Formula:

C9H7BrF2O3

Molecular Weight:

281.0509

MDL Number:

MFCD11110884

IUPAC Name:

methyl 3-bromo-4-(difluoromethoxy)benzoate

InChI:

InChI=1S/C9H7BrF2O3/c1-14-8(13)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3

InChI Key:

PIVLQGBDVHMHDD-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)Br)OC(F)F

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.955g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.053g/mol

Monoisotopic Mass:

279.955g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4