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Home > Nitro Compounds > 303988-35-4
303988-35-4 | N-(4-methoxyphenyl)-3-nitro-4-(phenylsulfanyl)benzamide
CAS No: 303988-35-4 Catalog No: AG00INH8 MDL No:MFCD01569117
Product Description
Catalog Number:
AG00INH8
Chemical Name:
N-(4-methoxyphenyl)-3-nitro-4-(phenylsulfanyl)benzamide
CAS Number:
303988-35-4
Molecular Formula:
C20H16N2O4S
Molecular Weight:
380.4170
MDL Number:
MFCD01569117
IUPAC Name:
N-(4-methoxyphenyl)-3-nitro-4-phenylsulfanylbenzamide
InChI:
InChI=1S/C20H16N2O4S/c1-26-16-10-8-15(9-11-16)21-20(23)14-7-12-19(18(13-14)22(24)25)27-17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23)
InChI Key:
FXRYSLCGHFZIHK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.083g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.418g/mol
Monoisotopic Mass:
380.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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