3,5-dimethoxy-4-fluorophenylboronic acid

CAT: 0926-HUA62823Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-HUA62823Size:10 g

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CAS Number

482628-23-9

MDL Number

MFCD28793139

Smiles

B (C1=CC (=C (C (=C1) OC) F) OC) (O) O

Molecular Formula

C8H10BFO4

Molecular Weight

199.97 g/mol

Controlled

Chemical Information

(4-Fluoro-3,5-dimethoxyphenyl)boronic acid

CAS Number	482628-23-9
PubChem CID	22485600
IUPAC Name	(4-fluoro-3,5-dimethoxyphenyl)boronic acid
Molecular Formula	C8H10BFO4
Molecular Weight	199.97
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	167

SMILES

B(C1=CC(=C(C(=C1)OC)F)OC)(O)O

InChI

InChI=1S/C8H10BFO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,11-12H,1-2H3

InChIKey

YXCHYZQCQRCTOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 482628-23-9

CID: 22485600

Formula: C8H10BFO4

MW: 199.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.97
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	200.0656171
Monoisotopic Mass	200.0656171
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	167
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

Catalog	Name
WQC61431	3,5-Dichloro-4-fluorophenylboronic acid
FF03381-01	4-Fluorophenylboronic acid
FD70836-01	3,5-Dimethoxy-4-ethoxybenzoic acid
FD55017-01	3,5-Dimethoxy-4-hydroxyphenylacetic acid
FD36756-01	3,5-Dimethoxy-4-methylbenzoic acid
RDA00448	3,4-dimethoxy-5-nitrobenzoic acid
FD67793-01	3,4-Dimethoxy-5-hydroxycinnamic acid
FD69834-01	3- (3,5-Dimethoxy-4-hydroxyphenyl) -propionic acid
FD67032-01	2,4-Dimethoxy-5-methylbenzoic acid
FD22176-01	4,5-Dimethoxy-2-nitrobenzoic acid

Catalog	Name
PC111316-01	2,3-Dimethoxy-4-fluorophenylboronic acid
PC1014901	2,5-Dimethoxy-6-fluorophenylboronic acid
PC1014923	2,3-Dimethoxy-4-fluorophenylboronic acid pinacol ester
PC1023706	2,3-Dimethoxy-6-fluorophenylboronic acid
PC1022098	4,5-Dimethyl-3-fluorophenylboronic acid
PC1008821	3,4-Dichloro-5-fluorophenylboronic acid
PC901339-01	3,5-Dichloro-4-fluorophenylboronic acid
PC103256-01	3,5-Dimethyl-4-fluorophenylboronic acid
PC1023093	3- (3,5-dichlorophenylcarbamoyl) -4-fluorophenylboronic acid
PC1015788	3-Bromo-5-chloro-4-fluorophenylboronic acid