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Home > Boronic Acids > 1217501-37-5
1217501-37-5 | Boronic acid, B-(2,5-dibromo-4-methoxyphenyl)-
CAS No: 1217501-37-5 Catalog No: AG0015S4 MDL No:MFCD13195657
Product Description
Catalog Number:
AG0015S4
Chemical Name:
Boronic acid, B-(2,5-dibromo-4-methoxyphenyl)-
CAS Number:
1217501-37-5
Molecular Formula:
C7H7BBr2O3
Molecular Weight:
309.7477
MDL Number:
MFCD13195657
IUPAC Name:
(2,5-dibromo-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BBr2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,11-12H,1H3
InChI Key:
FCCYYRNIKBYUQR-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1Br)B(O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.883g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.748g/mol
Monoisotopic Mass:
307.885g/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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