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Home > Nitro Compounds > 725704-59-6
725704-59-6 | 6-methyl-3-(3-nitrophenyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole
CAS No: 725704-59-6 Catalog No: AG00JH4W MDL No:MFCD06090980
Product Description
Catalog Number:
AG00JH4W
Chemical Name:
6-methyl-3-(3-nitrophenyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole
CAS Number:
725704-59-6
Molecular Formula:
C11H10N4O2S
Molecular Weight:
262.2877
MDL Number:
MFCD06090980
IUPAC Name:
6-methyl-3-(3-nitrophenyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C11H10N4O2S/c1-7-6-14-10(12-13-11(14)18-7)8-3-2-4-9(5-8)15(16)17/h2-5,7H,6H2,1H3
InChI Key:
OLKUVDRWIDXPKM-UHFFFAOYSA-N
SMILES:
CC1Cn2c(S1)nnc2c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.287g/mol
Monoisotopic Mass:
262.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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