Home Carboxys Benzyl 4-nitroazepane-1-carboxylate

Benzyl 4-nitroazepane-1-carboxylate

CAS No.:
1823863-01-9
Catalog Number:
AG00I1AY
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$147
- +
250mg
95%
In Stock USA
United States
$252
- +
1g
95%
In Stock USA
United States
$504
- +
5g
95%
In Stock USA
United States
$1512
- +
Product Description
Catalog Number:
AG00I1AY
Chemical Name:
Benzyl 4-nitroazepane-1-carboxylate
CAS Number:
1823863-01-9
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD27997474
IUPAC Name:
benzyl 4-nitroazepane-1-carboxylate
InChI:
InChI=1S/C14H18N2O4/c17-14(20-11-12-5-2-1-3-6-12)15-9-4-7-13(8-10-15)16(18)19/h1-3,5-6,13H,4,7-11H2
InChI Key:
HMGKXDJEYOSFMV-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(CC1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties