Home Other Building Blocks 4-fluoro-4-phenylazepane, oxalic acid

4-fluoro-4-phenylazepane, oxalic acid

CAS No.:
1803583-19-8
Catalog Number:
AG01BFZ4
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
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Product Description
Catalog Number:
AG01BFZ4
Chemical Name:
4-fluoro-4-phenylazepane, oxalic acid
CAS Number:
1803583-19-8
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
MDL Number:
MFCD28118768
IUPAC Name:
4-fluoro-4-phenylazepane;oxalic acid
InChI:
InChI=1S/C12H16FN.C2H2O4/c13-12(7-4-9-14-10-8-12)11-5-2-1-3-6-11;3-1(4)2(5)6/h1-3,5-6,14H,4,7-10H2;(H,3,4)(H,5,6)
InChI Key:
MCUCNRAYNLSMRS-UHFFFAOYSA-N
SMILES:
FC1(CCNCCC1)c1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.122g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
283.299g/mol
Monoisotopic Mass:
283.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties