Home Halogens 3-(chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole

3-(chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole

CAS No.:
1506281-27-1
Catalog Number:
AG01ELT5
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
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Product Description
Catalog Number:
AG01ELT5
Chemical Name:
3-(chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole
CAS Number:
1506281-27-1
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD23905241
IUPAC Name:
3-(chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole
InChI:
InChI=1S/C9H12ClNO/c10-6-8-7-4-2-1-3-5-9(7)12-11-8/h1-6H2
InChI Key:
VLFUDBLNXYNUBN-UHFFFAOYSA-N
SMILES:
ClCc1noc2c1CCCCC2
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties