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Home > Boronic Acids > 957062-55-4
957062-55-4 | 6-Bromo-2-chloro-3-methoxyphenylboronic acid
CAS No: 957062-55-4 Catalog No: AG00IJDJ MDL No:MFCD09800872
Product Description
Catalog Number:
AG00IJDJ
Chemical Name:
6-Bromo-2-chloro-3-methoxyphenylboronic acid
CAS Number:
957062-55-4
Molecular Formula:
C7H7BBrClO3
Molecular Weight:
265.2967
MDL Number:
MFCD09800872
IUPAC Name:
(6-bromo-2-chloro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
YITPGJUOVXQLPQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Cl)B(O)O)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.294g/mol
Monoisotopic Mass:
263.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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