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Home > Fluorides > 113553-89-2
113553-89-2 | Morpholine, 4-(2-fluoro-4,4-dimethyl-1,5-cyclohexadien-1-yl)-
CAS No: 113553-89-2 Catalog No: AG0008ZI MDL No:
Product Description
Catalog Number:
AG0008ZI
Chemical Name:
Morpholine, 4-(2-fluoro-4,4-dimethyl-1,5-cyclohexadien-1-yl)-
CAS Number:
113553-89-2
Molecular Formula:
C12H18FNO
Molecular Weight:
211.2758
IUPAC Name:
4-(2-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)morpholine
InChI:
InChI=1S/C12H18FNO/c1-12(2)4-3-11(10(13)9-12)14-5-7-15-8-6-14/h3-4H,5-9H2,1-2H3
InChI Key:
DVUHUVNGGMOUGM-UHFFFAOYSA-N
SMILES:
FC1=C(C=CC(C1)(C)C)N1CCOCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.28g/mol
Monoisotopic Mass:
211.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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