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Home > Nitro Compounds > 477869-62-8
477869-62-8 | 4-[(4-methylphenoxy)methyl]-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene
CAS No: 477869-62-8 Catalog No: AG00IOHI MDL No:MFCD01815000
Product Description
Catalog Number:
AG00IOHI
Chemical Name:
4-[(4-methylphenoxy)methyl]-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene
CAS Number:
477869-62-8
Molecular Formula:
C21H19NO3S
Molecular Weight:
365.4455
MDL Number:
MFCD01815000
IUPAC Name:
4-[(4-methylphenoxy)methyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene
InChI:
InChI=1S/C21H19NO3S/c1-15-3-8-18(9-4-15)25-14-17-7-12-21(20(13-17)22(23)24)26-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3
InChI Key:
ZPEGEIQJQPLXPG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCc1ccc(c(c1)[N+](=O)[O-])Sc1ccc(cc1)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.447g/mol
Monoisotopic Mass:
365.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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