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Home > Boronic Acids > 913835-73-1
913835-73-1 | 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97
CAS No: 913835-73-1 Catalog No: AG00GSYU MDL No:MFCD08689487
Product Description
Catalog Number:
AG00GSYU
Chemical Name:
3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97
CAS Number:
913835-73-1
Molecular Formula:
C7H6BBrO4
Molecular Weight:
244.8351
MDL Number:
MFCD08689487
IUPAC Name:
3-borono-5-bromobenzoic acid
InChI:
InChI=1S/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:
CWBLIPMCDMSOFX-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(=O)O)B(O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.835g/mol
Monoisotopic Mass:
243.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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