2-Acetamidophenylboronic acid

CAT: 0024-sc-237892Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237892Size:1 g

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CAS Number

169760-16-1

Chemical Information

2-Acetamidophenylboronic acid

CAS Number	169760-16-1
PubChem CID	2737789
IUPAC Name	(2-acetamidophenyl)boronic acid
Molecular Formula	C8H10BNO3
Molecular Weight	178.98
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	186

SMILES

B(C1=CC=CC=C1NC(=O)C)(O)O

InChI

InChI=1S/C8H10BNO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5,12-13H,1H3,(H,10,11)

InChIKey

UMOPBIVXPOETPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 169760-16-1

CID: 2737789

Formula: C8H10BNO3

MW: 178.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.98
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	179.0753733
Monoisotopic Mass	179.0753733
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186
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
sc-252116	4-Acetamidophenylboronic acid
sc-251934	3-Acetamidophenylboronic acid
sc-226461	4-Acetamidophenylboronic acid pinacol ester
sc-231426	3-Acetamidophenylboronic acid pinacol ester
sc-283301	2,2-Dimethylnonanoic Acid
sc-230702	2,2-Difluorobutyric acid
sc-275212	2,2-Dimethylhexanoic acid
sc-283301A	2,2-Dimethylnonanoic Acid
sc-230711	2,2-Dimethylbutyric acid
sc-265935	2,2-Difluorosuccinic acid

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