5-Indolylboronic acid

CAT: 0024-sc-254835Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254835Size:1 g

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CAS Number

144104-59-6

Chemical Information

5-Indolylboronic acid

CAS Number	144104-59-6
PubChem CID	2734361
IUPAC Name	1H-indol-5-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)NC=C2)(O)O

InChI

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

InChIKey

VHADYSUJZAPXOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 144104-59-6

CID: 2734361

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-239100	6-Indolylboronic acid
sc-255344	N-Boc-5-methoxy-2-indolylboronic acid
sc-253873	1- (Phenylsulfonyl) -2-indolylboronic acid
sc-222634	1- (Phenylsulfonyl) -3-indolylboronic acid
sc-269761	N-Boc-4-chloro-2-indolylboronic acid
sc-233378	5-Indoleboronic acid pinacol ester
sc-263813	N-Boc-3-formyl-5-indoleboronic acid pinacol ester
sc-263813A	N-Boc-3-formyl-5-indoleboronic acid pinacol ester
sc-262724	5,5,5-Trifluorovaleric acid
sc-262724A	5,5,5-Trifluorovaleric acid

Catalog	Name
abx185650-01	5-Indolylboronic Acid
408448-01	1- (Phenylsulfonyl) -3-indolylboronic Acid
408449-01	1- (Phenylsulfonyl) -3-indolylboronic Acid Pinacol Ester
PC4455-01	5,5,5-Trifluoropentanoic acid
437116-01	5,5,5-Trifluorovaleric Acid
ZAA49980-01	5,5-Dimethylhexanoic acid
FT62679-01	5,5'-Thiodisalicylic Acid
CCA14621-01	5,5-Dimethylheptanoic acid
904001	5,5‐DIBROMOBARBITURIC ACID
OR1011761-01	5,5-Thiodisalicylic Acid