Bifendate Impurity 9

CAT: 1299-RM-B550009-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-B550009-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

848773-01-3

Synonyms

Methyl 5- (benzyloxy) -2-bromo-3,4-dihydroxybenzoate

Molecular Formula

C15H13BrO5

Molecular Weight

353.17

Target Alternative Name

Bifendate

Product Name Synonym

Methyl 5- (benzyloxy) -2-bromo-3,4-dihydroxybenzoate

Chemical Information

Methyl 5-(benzyloxy)-2-bromo-3,4-dihydroxybenzoate

CAS Number	848773-01-3
PubChem CID	12186626
IUPAC Name	methyl 2-bromo-3,4-dihydroxy-5-phenylmethoxybenzoate
Molecular Formula	C15H13BrO5
Molecular Weight	353.16
XLogP	3.2
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	345

SMILES

COC(=O)C1=CC(=C(C(=C1Br)O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H13BrO5/c1-20-15(19)10-7-11(13(17)14(18)12(10)16)21-8-9-5-3-2-4-6-9/h2-7,17-18H,8H2,1H3

InChIKey

YCFHMDNHRYKPEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 848773-01-3

CID: 12186626

Formula: C15H13BrO5

MW: 353.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.16
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	351.99464
Monoisotopic Mass	351.99464
Topological Polar Surface Area	76 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	345
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes