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Home > Boronic Acids > 1072946-32-7
1072946-32-7 | 3-(Benzyloxy)-2,4-dichlorophenylboronic acid
CAS No: 1072946-32-7 Catalog No: AG0090G3 MDL No:MFCD10699639
Product Description
Catalog Number:
AG0090G3
Chemical Name:
3-(Benzyloxy)-2,4-dichlorophenylboronic acid
CAS Number:
1072946-32-7
Molecular Formula:
C13H11BCl2O3
Molecular Weight:
296.9416
MDL Number:
MFCD10699639
IUPAC Name:
(2,4-dichloro-3-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BCl2O3/c15-11-7-6-10(14(17)18)12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
ISXBLZCSJKQVQQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1Cl)OCc1ccccc1)Cl)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.938g/mol
Monoisotopic Mass:
296.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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