Home Other Building Blocks 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane

1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane

CAS No.:
231953-40-5
Catalog Number:
AG002MH6
Molecular Formula:
C11H13ClF3N3
Molecular Weight:
279.6892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$310
- +
5g
1 week
United States
$1089
- +
10g
1 week
United States
$2096
- +
25g
1 week
United States
$4167
- +
Product Description
Catalog Number:
AG002MH6
Chemical Name:
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CAS Number:
231953-40-5
Molecular Formula:
C11H13ClF3N3
Molecular Weight:
279.6892
MDL Number:
MFCD00238856
IUPAC Name:
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
InChI:
InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2
InChI Key:
PKKLERQDFWUWNM-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1N1CCNCCC1)C(F)(F)F
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.691g/mol
Monoisotopic Mass:
279.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties