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Home > Nitro Compounds > 303988-20-7
303988-20-7 | N-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide
CAS No: 303988-20-7 Catalog No: AG00IVOZ MDL No:MFCD01569102
Product Description
Catalog Number:
AG00IVOZ
Chemical Name:
N-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide
CAS Number:
303988-20-7
Molecular Formula:
C21H18N2O4S
Molecular Weight:
394.4436
MDL Number:
MFCD01569102
IUPAC Name:
N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
InChI:
InChI=1S/C21H18N2O4S/c1-14-3-10-18(11-4-14)28-20-12-5-15(13-19(20)23(25)26)21(24)22-16-6-8-17(27-2)9-7-16/h3-13H,1-2H3,(H,22,24)
InChI Key:
IKHYPSVVUGOSTA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1ccc(cc1)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.445g/mol
Monoisotopic Mass:
394.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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