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Home > Boronic Acids > 1309980-91-3

1309980-91-3

1309980-91-3 | Boronic acid, B-(3-bromo-2-fluoro-6-methoxyphenyl)-

CAS No: 1309980-91-3 Catalog No: AG000V98 MDL No:MFCD12026725

Product Description

Catalog Number:
AG000V98
Chemical Name:
Boronic acid, B-(3-bromo-2-fluoro-6-methoxyphenyl)-
CAS Number:
1309980-91-3
Molecular Formula:
C7H7BBrFO3
Molecular Weight:
248.8421
MDL Number:
MFCD12026725
IUPAC Name:
(3-bromo-2-fluoro-6-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3
InChI Key:
BBNKVONBBPZCIF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1B(O)O)F)Br

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.966g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.842g/mol
Monoisotopic Mass:
247.966g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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