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Home > Nitro Compounds > 66603-27-8
66603-27-8 | 2,5-Dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-1H-pyrrole
CAS No: 66603-27-8 Catalog No: AG00FPE1 MDL No:MFCD01125300
Product Description
Catalog Number:
AG00FPE1
Chemical Name:
2,5-Dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-1H-pyrrole
CAS Number:
66603-27-8
Molecular Formula:
C18H16N2O2S
Molecular Weight:
324.3968
MDL Number:
MFCD01125300
IUPAC Name:
2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrole
InChI:
InChI=1S/C18H16N2O2S/c1-13-3-4-14(2)19(13)15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)20(21)22/h3-12H,1-2H3
InChI Key:
HUQJANNJQJBHAP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Sc1ccc(cc1)n1c(C)ccc1C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.398g/mol
Monoisotopic Mass:
324.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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