Home Other Building Blocks 2-phenyl-1,4-oxazepane

2-phenyl-1,4-oxazepane

CAS No.:
933734-57-7
Catalog Number:
AG01AB45
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
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Product Description
Catalog Number:
AG01AB45
Chemical Name:
2-phenyl-1,4-oxazepane
CAS Number:
933734-57-7
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD12183813
IUPAC Name:
2-phenyl-1,4-oxazepane
InChI:
InChI=1S/C11H15NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2
InChI Key:
IZUBNDQLSFWKRL-UHFFFAOYSA-N
SMILES:
C1CCOC(CN1)c1ccccc1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties