4-Boronophthalic acid

CAT: 0024-sc-289938Size: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-289938Size:500 mg

Selected

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

Quick Request Actions

CAS Number

1072946-35-0

Chemical Information

4-Boronophthalic acid

CAS Number	1072946-35-0
PubChem CID	46738896
IUPAC Name	4-boronophthalic acid
Molecular Formula	C8H7BO6
Molecular Weight	209.95
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	266

SMILES

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

InChI

InChI=1S/C8H7BO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3,14-15H,(H,10,11)(H,12,13)

InChIKey

WBFFWDAYSKENSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1072946-35-0

CID: 46738896

Formula: C8H7BO6

MW: 209.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.95
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	210.0335681
Monoisotopic Mass	210.0335681
Topological Polar Surface Area	115 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	266
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-277680	4,4,4-Trichlorobutyric acid
sc-262191	4,4,4-Trifluorobutyric acid
sc-262191A	4,4,4-Trifluorobutyric acid
sc-349750	4,4-difluoropentanoic acid
sc-349750A	4,4-difluoropentanoic acid
sc-210168	4,4'-Dithiobisbenzoic Acid
sc-217022	4,4'-Dithiobisphenylbutyric Acid
sc-226805	4,4-Difluorocyclohexanecarboxylic acid
sc-210170	4,4'-Dithiobiscinnamic Acid
sc-487699	4,4'-Isopropylidenediphenoxyacetic acid

Catalog	Name
430510-01	4-Boronophthalic Acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid
108847-20-8-01	Dibenzothiophene-4-boronic acid; 4-DIBENZOTHIENYLBORONIC ACID
PC7292-01	4,4,4-Trifluorobutanoic acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid