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Home > Nitro Compounds > 62390-80-1
62390-80-1 | 4-methoxy-N-[(Z)-1-(methylsulfanyl)-2-nitroethenyl]aniline
CAS No: 62390-80-1 Catalog No: AG00IOO9 MDL No:MFCD00138259
Product Description
Catalog Number:
AG00IOO9
Chemical Name:
4-methoxy-N-[(Z)-1-(methylsulfanyl)-2-nitroethenyl]aniline
CAS Number:
62390-80-1
Molecular Formula:
C10H12N2O3S
Molecular Weight:
240.2789
MDL Number:
MFCD00138259
IUPAC Name:
4-methoxy-N-(1-methylsulfanyl-2-nitroethenyl)aniline
InChI:
InChI=1S/C10H12N2O3S/c1-15-9-5-3-8(4-6-9)11-10(16-2)7-12(13)14/h3-7,11H,1-2H3
InChI Key:
KTGOPTAYWAHLCN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N/C(=C/[N+](=O)[O-])/SC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.277g/mol
Monoisotopic Mass:
240.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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