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Home > Boronic Acids > 1256345-59-1

1256345-59-1

1256345-59-1 | Boronic acid, B-(4-bromo-3-methoxyphenyl)-

CAS No: 1256345-59-1 Catalog No: AG000O06 MDL No:MFCD16036103

Product Description

Catalog Number:
AG000O06
Chemical Name:
Boronic acid, B-(4-bromo-3-methoxyphenyl)-
CAS Number:
1256345-59-1
Molecular Formula:
C7H8BBrO3
Molecular Weight:
230.8516
MDL Number:
MFCD16036103
IUPAC Name:
(4-bromo-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChI Key:
LCRYXSUMYJSZDG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Br)B(O)O

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.975g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.852g/mol
Monoisotopic Mass:
229.975g/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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