Home Carbonyls 1H-Azepine-1-carbonyl chloride, hexahydro-

1H-Azepine-1-carbonyl chloride, hexahydro-

CAS No.:
27817-35-2
Catalog Number:
AG002UUD
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
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Product Description
Catalog Number:
AG002UUD
Chemical Name:
1H-Azepine-1-carbonyl chloride, hexahydro-
CAS Number:
27817-35-2
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
IUPAC Name:
azepane-1-carbonyl chloride
InChI:
InChI=1S/C7H12ClNO/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2
InChI Key:
VCZFCDMBZCEPFV-UHFFFAOYSA-N
SMILES:
ClC(=O)N1CCCCCC1
EC Number:
248-672-6
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties