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Home > Boronic Acids > 325786-11-6
325786-11-6 | Boronic acid,(2,4-difluoro-5-nitrophenyl)- (9CI)
CAS No: 325786-11-6 Catalog No: AG00I66E MDL No:MFCD03095253
Product Description
Catalog Number:
AG00I66E
Chemical Name:
Boronic acid,(2,4-difluoro-5-nitrophenyl)- (9CI)
CAS Number:
325786-11-6
Molecular Formula:
C6H4BF2NO4
Molecular Weight:
202.9081
MDL Number:
MFCD03095253
IUPAC Name:
(2,4-difluoro-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H4BF2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H
InChI Key:
PSPLUVTUISDWMW-UHFFFAOYSA-N
SMILES:
OB(c1cc([N+](=O)[O-])c(cc1F)F)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.908g/mol
Monoisotopic Mass:
203.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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