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Home > Boronic Acids > 913835-87-7

913835-87-7

913835-87-7 | (3-Bromo-5-(methoxycarbonyl);phenyl);boronic acid

CAS No: 913835-87-7 Catalog No: AG006NKC MDL No:MFCD08689544

Product Description

Catalog Number:
AG006NKC
Chemical Name:
(3-Bromo-5-(methoxycarbonyl);phenyl);boronic acid
CAS Number:
913835-87-7
Molecular Formula:
C8H8BBrO4
Molecular Weight:
258.8617
MDL Number:
MFCD08689544
IUPAC Name:
(3-bromo-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BBrO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3
InChI Key:
CJSWOALHLRQFNX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)Br)B(O)O

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.97g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.862g/mol
Monoisotopic Mass:
257.97g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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