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Home > Fluorides > 946785-49-5
946785-49-5 | 3-fluoro-4-(3-methylbutoxy)aniline
CAS No: 946785-49-5 Catalog No: AG01B294 MDL No:MFCD08687823
Product Description
Catalog Number:
AG01B294
Chemical Name:
3-fluoro-4-(3-methylbutoxy)aniline
CAS Number:
946785-49-5
Molecular Formula:
C11H16FNO
Molecular Weight:
197.2492
MDL Number:
MFCD08687823
IUPAC Name:
3-fluoro-4-(3-methylbutoxy)aniline
InChI:
InChI=1S/C11H16FNO/c1-8(2)5-6-14-11-4-3-9(13)7-10(11)12/h3-4,7-8H,5-6,13H2,1-2H3
InChI Key:
KPCZLDDAWGKIIC-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1F)N)C
Properties
Complexity:
163
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:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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