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Home > Nitro Compounds > 252026-91-8
252026-91-8 | 3-(4-nitrophenoxy)-N-(prop-2-en-1-yl)thiophene-2-carboxamide
CAS No: 252026-91-8 Catalog No: AG00IMWZ MDL No:MFCD00202722
Product Description
Catalog Number:
AG00IMWZ
Chemical Name:
3-(4-nitrophenoxy)-N-(prop-2-en-1-yl)thiophene-2-carboxamide
CAS Number:
252026-91-8
Molecular Formula:
C14H12N2O4S
Molecular Weight:
304.3211
MDL Number:
MFCD00202722
IUPAC Name:
3-(4-nitrophenoxy)-N-prop-2-enylthiophene-2-carboxamide
InChI:
InChI=1S/C14H12N2O4S/c1-2-8-15-14(17)13-12(7-9-21-13)20-11-5-3-10(4-6-11)16(18)19/h2-7,9H,1,8H2,(H,15,17)
InChI Key:
OYQNRNLJRLBIKX-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)c1sccc1Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.32g/mol
Monoisotopic Mass:
304.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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