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1040025-07-7 | 2-(2-Fluoro-4-methyl-phenylamino)-ethanol
CAS No: 1040025-07-7 Catalog No: AG01FBGC MDL No:
Product Description
Catalog Number:
AG01FBGC
Chemical Name:
2-(2-Fluoro-4-methyl-phenylamino)-ethanol
CAS Number:
1040025-07-7
Molecular Formula:
C9H12FNO
Molecular Weight:
169.1961
IUPAC Name:
2-(2-fluoro-4-methylanilino)ethanol
InChI:
InChI=1S/C9H12FNO/c1-7-2-3-9(8(10)6-7)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChI Key:
XBTLFSZFIMNUJZ-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(cc1F)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.199g/mol
Monoisotopic Mass:
169.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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