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Home > Boronic Acids > 1451390-87-6
1451390-87-6 | 3-Bromo-5-isopropylphenylboronic acid
CAS No: 1451390-87-6 Catalog No: AG00AWUU MDL No:MFCD16295265
Product Description
Catalog Number:
AG00AWUU
Chemical Name:
3-Bromo-5-isopropylphenylboronic acid
CAS Number:
1451390-87-6
Molecular Formula:
C9H12BBrO2
Molecular Weight:
242.9054
MDL Number:
MFCD16295265
IUPAC Name:
(3-bromo-5-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO2/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6,12-13H,1-2H3
InChI Key:
DNQVEISBEIMQOG-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)B(O)O)C(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.907g/mol
Monoisotopic Mass:
242.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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