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Home > Boronic Acids > 380430-48-8
380430-48-8 | (3-BROMO-5-NITROPHENYL)BORONIC ACID
CAS No: 380430-48-8 Catalog No: AG00BYQH MDL No:MFCD03411929
Product Description
Catalog Number:
AG00BYQH
Chemical Name:
(3-BROMO-5-NITROPHENYL)BORONIC ACID
CAS Number:
380430-48-8
Molecular Formula:
C6H5BBrNO4
Molecular Weight:
245.8232
MDL Number:
MFCD03411929
IUPAC Name:
(3-bromo-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H
InChI Key:
FFCQCRMODYFROM-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(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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