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Home > Boronic Acids > 406482-18-6
406482-18-6 | (2,4-Difluoro-3-methoxyphenyl);boronic acid
CAS No: 406482-18-6 Catalog No: AG00769N MDL No:MFCD19981523
Product Description
Catalog Number:
AG00769N
Chemical Name:
(2,4-Difluoro-3-methoxyphenyl);boronic acid
CAS Number:
406482-18-6
Molecular Formula:
C7H7BF2O3
Molecular Weight:
187.9365
MDL Number:
MFCD19981523
IUPAC Name:
(2,4-difluoro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BF2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
NRIQRAMCXSJILE-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc(c1F)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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