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Home > Boronic Acids > 1196395-83-1
1196395-83-1 | 2-(2-chloro-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1196395-83-1 Catalog No: AG00HF2A MDL No:MFCD18384059
Product Description
Catalog Number:
AG00HF2A
Chemical Name:
2-(2-chloro-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1196395-83-1
Molecular Formula:
C18H20BClO3
Molecular Weight:
330.6136
MDL Number:
MFCD18384059
IUPAC Name:
2-(2-chloro-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C18H20BClO3/c1-17(2)18(3,4)23-19(22-17)15-11-10-14(12-16(15)20)21-13-8-6-5-7-9-13/h5-12H,1-4H3
InChI Key:
DXYWKYPJDURYSM-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1B1OC(C(O1)(C)C)(C)C)Oc1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.615g/mol
Monoisotopic Mass:
330.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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