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Home > Boronic Acids > 860034-11-3
860034-11-3 | (4-Bromo-2-nitrophenyl)boronic acid
CAS No: 860034-11-3 Catalog No: AG004Q2I MDL No:MFCD12025992
Product Description
Catalog Number:
AG004Q2I
Chemical Name:
(4-Bromo-2-nitrophenyl)boronic acid
CAS Number:
860034-11-3
Molecular Formula:
C6H5BBrNO4
Molecular Weight:
245.8232
MDL Number:
MFCD12025992
IUPAC Name:
(4-bromo-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3,10-11H
InChI Key:
QGDNYVAPNJFOMO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.95g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.823g/mol
Monoisotopic Mass:
244.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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