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kobe-2602

CAS No.:
454453-49-7
Catalog Number:
AG00DB6H
Molecular Formula:
C14H9F4N5O4S
Molecular Weight:
419.3110
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
≥98%
1 week
United States
$91
- +
50mg
≥98%
1 week
United States
$161
- +
100mg
≥98%
1 week
United States
$230
- +
250mg
99%
1 week
United States
$457
- +
500mg
≥98%
1 week
United States
$665
- +
Product Description
Catalog Number:
AG00DB6H
Chemical Name:
kobe-2602
CAS Number:
454453-49-7
Molecular Formula:
C14H9F4N5O4S
Molecular Weight:
419.3110
MDL Number:
MFCD04109605
IUPAC Name:
1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(4-fluorophenyl)thiourea
InChI:
InChI=1S/C14H9F4N5O4S/c15-8-1-3-9(4-2-8)19-13(28)21-20-12-10(22(24)25)5-7(14(16,17)18)6-11(12)23(26)27/h1-6,20H,(H2,19,21,28)
InChI Key:
NNPBSITXCGPXJC-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)F)NNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.031g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
419.311g/mol
Monoisotopic Mass:
419.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties