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Home > Boronic Acids > 1312765-69-7
1312765-69-7 | Boronic acid, B-(3-bromo-4-methylphenyl)-
CAS No: 1312765-69-7 Catalog No: AG000VU2 MDL No:MFCD16295252
Product Description
Catalog Number:
AG000VU2
Chemical Name:
Boronic acid, B-(3-bromo-4-methylphenyl)-
CAS Number:
1312765-69-7
Molecular Formula:
C7H8BBrO2
Molecular Weight:
214.8522
MDL Number:
MFCD16295252
IUPAC Name:
(3-bromo-4-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChI Key:
VBESRPDPCSIDEN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)Br)C)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.853g/mol
Monoisotopic Mass:
213.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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