HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

4-Chlorophenyl borate

HCID 86756166
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
[O-]B([O-])Oc1ccc(Cl)cc1
InChIKey
ZOGXJKWVNCKQSG-UHFFFAOYSA-N
Molecular formula
C6H4BClO3-2
Average molar mass
170.36 g/mol
Monoisotopic mass
169.9942018

Names & identifiers

Preferred name
4-Chlorophenyl borate
IUPAC
(4-chlorophenoxy)-dioxidoborane

Names & synonyms

4-chlorophenyl borate4-chloro-phenyl borateZOGXJKWVNCKQSG-UHFFFAOYSA-N

Database identifiers

PubChem CID
86756166

Properties

Computed structural properties

Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Formal charge
-2
Complexity
114

Related reactions

7 records
New reaction record
HRID 566005 reaction equation
HRID 566005As reactantuspto-grants-2001_01
HRID 1127718 reaction equation
HRID 1127718As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1207398 reaction equation
HRID 1207398As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1277180 reaction equation
HRID 1277180As reactantuspto-grants-2000_12
HRID 1387934 reaction equation
HRID 1387934As reactantuspto-grants-2001_07
HRID 1978572 reaction equation
HRID 1978572As reactantuspto-grants-2001_05
HRID 2228195 reaction equation
HRID 2228195As reactantuspto-grants-2002_07

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes