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129482-45-7 | 1,4-Oxazepine, 2-(chloromethyl)hexahydro-4-(phenylmethyl)-
CAS No: 129482-45-7 Catalog No: AG000Z6M MDL No:MFCD11975786
Product Description
Catalog Number:
AG000Z6M
Chemical Name:
1,4-Oxazepine, 2-(chloromethyl)hexahydro-4-(phenylmethyl)-
CAS Number:
129482-45-7
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
MDL Number:
MFCD11975786
IUPAC Name:
4-benzyl-2-(chloromethyl)-1,4-oxazepane
InChI:
InChI=1S/C13H18ClNO/c14-9-13-11-15(7-4-8-16-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChI Key:
WMNCXGQXIYXQLC-UHFFFAOYSA-N
SMILES:
ClCC1OCCCN(C1)Cc1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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