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1240529-10-5 | Cyclohexanecarboxylic acid, 1-amino-4,4-difluoro-
CAS No: 1240529-10-5 Catalog No: AG000LGL MDL No:MFCD16547765
Product Description
Catalog Number:
AG000LGL
Chemical Name:
Cyclohexanecarboxylic acid, 1-amino-4,4-difluoro-
CAS Number:
1240529-10-5
Molecular Formula:
C7H11F2NO2
Molecular Weight:
179.1645
MDL Number:
MFCD16547765
IUPAC Name:
1-amino-4,4-difluorocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H11F2NO2/c8-7(9)3-1-6(10,2-4-7)5(11)12/h1-4,10H2,(H,11,12)
InChI Key:
QKHFDEBCLOAUQX-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCC(CC1)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.167g/mol
Monoisotopic Mass:
179.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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