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680212-28-6 | 2-Chloro-3,4-dinitro-5-[(pent-1-yl)amino]thiophene
CAS No: 680212-28-6 Catalog No: AG01FGEK MDL No:
Product Description
Catalog Number:
AG01FGEK
Chemical Name:
2-Chloro-3,4-dinitro-5-[(pent-1-yl)amino]thiophene
CAS Number:
680212-28-6
IUPAC Name:
5-chloro-3,4-dinitro-N-pentylthiophen-2-amine
InChI:
InChI=1S/C9H12ClN3O4S/c1-2-3-4-5-11-9-7(13(16)17)6(12(14)15)8(10)18-9/h11H,2-5H2,1H3
InChI Key:
UFFIAUVBWUKQRD-UHFFFAOYSA-N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.722g/mol
Monoisotopic Mass:
293.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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