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1310403-77-0 | (4-(((4-fluorophenyl)amino)methyl)phenyl)boronic acid
CAS No: 1310403-77-0 Catalog No: AG01FFXZ MDL No:
Product Description
Catalog Number:
AG01FFXZ
Chemical Name:
(4-(((4-fluorophenyl)amino)methyl)phenyl)boronic acid
CAS Number:
1310403-77-0
Molecular Formula:
C13H13BFNO2
Molecular Weight:
245.0572
IUPAC Name:
[4-[(4-fluoroanilino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H13BFNO2/c15-12-5-7-13(8-6-12)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16-18H,9H2
InChI Key:
CSNVMFZDDMXQIV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NCc1ccc(cc1)B(O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.06g/mol
Monoisotopic Mass:
245.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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