5-Hydroxy-2-methylphenylboronic acid

CAT: 0926-AFC21645-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-AFC21645-01Size:0.5 g

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CAS Number

1375216-45-7

MDL Number

MFCD17011972

Smiles

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

Molecular Formula

C7H9BO3

Molecular Weight

151.96 g/mol

Controlled

Chemical Information

5-Hydroxy-2-methylphenylboronic acid

CAS Number	1375216-45-7
PubChem CID	57497239
IUPAC Name	(5-hydroxy-2-methylphenyl)boronic acid
Molecular Formula	C7H9BO3
Molecular Weight	151.96
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

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

InChI

InChI=1S/C7H9BO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9-11H,1H3

InChIKey

ONNUFDZTGJBMSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1375216-45-7

CID: 57497239

Formula: C7H9BO3

MW: 151.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.96
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.0644743
Monoisotopic Mass	152.0644743
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
JKA20921-01	2-Hydroxy-5-methylphenylboronic acid
RIA01935-01	3-Hydroxy-4-methylphenylboronic acid
ZFB60813-01	5-Bromo-2-methylphenylboronic acid
VGA23088-01	5-Carboxy-2-methylphenylboronic acid
HYB96150-01	4-Chloro-2-hydroxy-6-methylphenylboronic acid
JMB24779	2,3-Difluoro-5-methylphenylboronic acid
MPC18435-01	2-Chloro-5-fluoro-4-methylphenylboronic acid
CEC42691-01	5-Chloro-2-methylphenylboronic acid pinacol ester
LQB46069-01	5- (Aminomethyl) -2-methylphenylboronic acid pinacol ester
ZIB06236	3-Bromo-5-methylphenylboronic acid

Catalog	Name
418284-01	2-Hydroxy-5-methylphenylboronic acid
OR361261	5-Hydroxy-2-methylphenylboronic acid
OR361260-01	3-Hydroxy-5-methylphenylboronic acid
sc-259933A	2-Hydroxy-3-methylphenylboronic acid
418251-01	2-Hydroxy-4-methylphenylboronic acid
OR1084700-01	2-Hydroxy-6-methylphenylboronic acid
OR471041-01	5- (2-Hydroxy-2-propyl) -2-methylphenylboronic acid pinacol ester
OR361262	3-Hydroxy-5-methylphenylboronic acid, pinacol ester
435499-01	5-Bromo-2-methylphenylboronic acid
416944-01	2-Chloro-5-methylphenylboronic acid