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Home > Nitro Compounds > 252027-04-6
252027-04-6 | N-(3-chloro-2-methylphenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
CAS No: 252027-04-6 Catalog No: AG00IMZT MDL No:MFCD00202731
Product Description
Catalog Number:
AG00IMZT
Chemical Name:
N-(3-chloro-2-methylphenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
CAS Number:
252027-04-6
Molecular Formula:
C18H13ClN2O4S
Molecular Weight:
388.8248
MDL Number:
MFCD00202731
IUPAC Name:
N-(3-chloro-2-methylphenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
InChI:
InChI=1S/C18H13ClN2O4S/c1-11-12(19)5-4-6-13(11)20-18(22)17-16(9-10-26-17)25-15-8-3-2-7-14(15)21(23)24/h2-10H,1H3,(H,20,22)
InChI Key:
FGFBMVXKYWCBQI-UHFFFAOYSA-N
SMILES:
O=C(c1sccc1Oc1ccccc1[N+](=O)[O-])Nc1cccc(c1C)Cl
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.028g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.822g/mol
Monoisotopic Mass:
388.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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