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Roflumilast

CAS No.:
162401-32-3
Catalog Number:
AG001T2D
Molecular Formula:
C17H14Cl2F2N2O3
Molecular Weight:
403.2075
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$257
- +
25g
98%
In Stock USA
United States
$463
- +
Product Description
Catalog Number:
AG001T2D
Chemical Name:
Roflumilast
CAS Number:
162401-32-3
Molecular Formula:
C17H14Cl2F2N2O3
Molecular Weight:
403.2075
MDL Number:
MFCD00938270
IUPAC Name:
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
InChI:
InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
InChI Key:
MNDBXUUTURYVHR-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F
UNII:
0P6C6ZOP5U
Properties
Complexity:
475  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.035g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.207g/mol
Monoisotopic Mass:
402.035g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
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Properties