Home Other Building Blocks 7-(difluoromethyl)-1,4-oxazepane hydrochloride

7-(difluoromethyl)-1,4-oxazepane hydrochloride

CAS No.:
2059988-56-4
Catalog Number:
AG01BR10
Molecular Formula:
C6H12ClF2NO
Molecular Weight:
187.6154
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Product Description
Catalog Number:
AG01BR10
Chemical Name:
7-(difluoromethyl)-1,4-oxazepane hydrochloride
CAS Number:
2059988-56-4
Molecular Formula:
C6H12ClF2NO
Molecular Weight:
187.6154
MDL Number:
MFCD30502170
IUPAC Name:
7-(difluoromethyl)-1,4-oxazepane;hydrochloride
InChI:
InChI=1S/C6H11F2NO.ClH/c7-6(8)5-1-2-9-3-4-10-5;/h5-6,9H,1-4H2;1H
InChI Key:
FVVDOSXVUOASIN-UHFFFAOYSA-N
SMILES:
FC(C1CCNCCO1)F.Cl
Properties
Complexity:
99.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.615g/mol
Monoisotopic Mass:
187.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties