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1286264-83-2 | 3-Fluoro-4-(neopentyloxy)aniline
CAS No: 1286264-83-2 Catalog No: AG01FEMS MDL No:
Product Description
Catalog Number:
AG01FEMS
Chemical Name:
3-Fluoro-4-(neopentyloxy)aniline
CAS Number:
1286264-83-2
Molecular Formula:
C11H16FNO
Molecular Weight:
197.2492
IUPAC Name:
4-(2,2-dimethylpropoxy)-3-fluoroaniline
InChI:
InChI=1S/C11H16FNO/c1-11(2,3)7-14-10-5-4-8(13)6-9(10)12/h4-6H,7,13H2,1-3H3
InChI Key:
SSTLRVJCCSYMRL-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)OCC(C)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.122g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.253g/mol
Monoisotopic Mass:
197.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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