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Home > Boronic Acids > 897958-93-9

897958-93-9

897958-93-9 | (2,5-Difluoro-4-methoxyphenyl)boronic acid

CAS No: 897958-93-9 Catalog No: AG00369R MDL No:MFCD04038754

Product Description

Catalog Number:
AG00369R
Chemical Name:
(2,5-Difluoro-4-methoxyphenyl)boronic acid
CAS Number:
897958-93-9
Molecular Formula:
C7H7BF2O3
Molecular Weight:
187.9365
MDL Number:
MFCD04038754
IUPAC Name:
(2,5-difluoro-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BF2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,11-12H,1H3
InChI Key:
BRMUXDWCSVTVPQ-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1F)B(O)O

Properties

Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.937g/mol
Monoisotopic Mass:
188.046g/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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