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Home > Boronic Acids > 850567-94-1

850567-94-1

850567-94-1 | (4-Bromo-2-chloro-5-methoxyphenyl)boronic acid

CAS No: 850567-94-1 Catalog No: AG004SIE MDL No:MFCD06659862

Product Description

Catalog Number:
AG004SIE
Chemical Name:
(4-Bromo-2-chloro-5-methoxyphenyl)boronic acid
CAS Number:
850567-94-1
Molecular Formula:
C7H7BBrClO3
Molecular Weight:
265.2967
MDL Number:
MFCD06659862
IUPAC Name:
(4-bromo-2-chloro-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrClO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3,11-12H,1H3
InChI Key:
DMUAPYZFKLNZMJ-UHFFFAOYSA-N
SMILES:
COc1cc(B(O)O)c(cc1Br)Cl

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.936g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.294g/mol
Monoisotopic Mass:
263.936g/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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