3-Fluoro-5-morpholinophenylboronic acid

CAT: 0127-PC412143Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC412143Size:1 Each

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CAS Number

1217500-95-2

MDL Number

MFCD12546541

Purity

98%

Smiles

OB(O)c1cc(F)cc(c1)N2CCOCC2

Chemical Information

3-Fluoro-5-morpholinophenylboronic acid

CAS Number	1217500-95-2
PubChem CID	46739627
IUPAC Name	(3-fluoro-5-morpholin-4-ylphenyl)boronic acid
Molecular Formula	C10H13BFNO3
Molecular Weight	225.03
Topological Polar Surface Area	52.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	226

SMILES

B(C1=CC(=CC(=C1)F)N2CCOCC2)(O)O

InChI

InChI=1S/C10H13BFNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2

InChIKey

LZZMZSFQBPERPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1217500-95-2

CID: 46739627

Formula: C10H13BFNO3

MW: 225.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.03
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	225.0972516
Monoisotopic Mass	225.0972516
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	226
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

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Catalog	Name
425737-01	3-Fluoro-5-morpholinophenylboronic acid
425665-01	3-Fluoro-4-morpholinophenylboronic acid
281899-01	3-Morpholinophenylboronic acid
424510-01	3-Bromo-5-morpholinophenylboronic acid
M725235	4-Morpholinophenylboronic Acid
424998-01	3-Chloro-4-morpholinophenylboronic acid
424999-01	3-Chloro-4-morpholinophenylboronic acid pinacol ester
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425740-01	3-Fluoro-5-nitrobenzoic acid
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