6-Indolylboronic acid

CAT: 0024-sc-239100Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239100Size:1 g

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CAS Number

147621-18-9

Chemical Information

1H-Indol-6-ylboronic acid

CAS Number	147621-18-9
PubChem CID	2763205
IUPAC Name	1H-indol-6-ylboronic acid
Molecular Formula	C8H8BNO2
Molecular Weight	160.97
Topological Polar Surface Area	56.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

B(C1=CC2=C(C=C1)C=CN2)(O)O

InChI

InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H

InChIKey

ZVMHOIWRCCZGPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 147621-18-9

CID: 2763205

Formula: C8H8BNO2

MW: 160.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.97
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	161.0648087
Monoisotopic Mass	161.0648087
Topological Polar Surface Area	56.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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-254835	5-Indolylboronic acid
sc-253873	1- (Phenylsulfonyl) -2-indolylboronic acid
sc-222634	1- (Phenylsulfonyl) -3-indolylboronic acid
sc-255344	N-Boc-5-methoxy-2-indolylboronic acid
sc-269761	N-Boc-4-chloro-2-indolylboronic acid
sc-227105	6,6'-Dithiodinicotinic acid
sc-257589	Hexanoic acid-6,6,6-d3
sc-473901	Sucrose 6,6′-Dicarboxylic Acid
sc-239102	6-Mercaptohexanoic acid
sc-262882	6-Nitropicolinic acid

Catalog	Name
abx185650-01	5-Indolylboronic Acid
408448-01	1- (Phenylsulfonyl) -3-indolylboronic Acid
408449-01	1- (Phenylsulfonyl) -3-indolylboronic Acid Pinacol Ester
15845021-100g	6-Aminohexanoic acid (6-Aminocaproic acid)
JH339811	6,6,6-trideuteriohexanoic acid
PC1002678-01	6,6,6-Trifluorohexanoic acid
TRC-B387150-100MG	6,6'-Binicotinic Acid
M28914-01	6,6'-Dithiodinicotinic Acid
QAA89892-01	6,6-Dimethylheptanoic acid
HY-W273281-01	6,6′-Dithiodinicotinic acid