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Home > Boronic Acids > 958453-57-1
958453-57-1 | (4-(3-Fluoropropoxy)phenyl)boronic acid
CAS No: 958453-57-1 Catalog No: AG00IJH8 MDL No:MFCD11036109
Product Description
Catalog Number:
AG00IJH8
Chemical Name:
(4-(3-Fluoropropoxy)phenyl)boronic acid
CAS Number:
958453-57-1
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD11036109
IUPAC Name:
[4-(3-fluoropropoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H12BFO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,12-13H,1,6-7H2
InChI Key:
XMERFSIIVVHKCQ-UHFFFAOYSA-N
SMILES:
FCCCOc1ccc(cc1)B(O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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