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Home > Boronic Acids > 1309981-00-7
1309981-00-7 | Boronic acid, B-(3-bromo-2-chloro-6-methoxyphenyl)-
CAS No: 1309981-00-7 Catalog No: AG000V95 MDL No:MFCD12026732
Product Description
Catalog Number:
AG000V95
Chemical Name:
Boronic acid, B-(3-bromo-2-chloro-6-methoxyphenyl)-
CAS Number:
1309981-00-7
Molecular Formula:
C7H7BBrClO3
Molecular Weight:
265.2967
MDL Number:
MFCD12026732
IUPAC Name:
(3-bromo-2-chloro-6-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3
InChI Key:
QLIFWSMTZIXOGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1B(O)O)Cl)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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