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Home > Nitro Compounds > 328540-83-6
328540-83-6 | 3-(4'-Nitro-biphenyl-4-ylcarbamoyl)-acrylic acid
CAS No: 328540-83-6 Catalog No: AG01EUY5 MDL No:
Product Description
Catalog Number:
AG01EUY5
Chemical Name:
3-(4'-Nitro-biphenyl-4-ylcarbamoyl)-acrylic acid
CAS Number:
328540-83-6
Molecular Formula:
C16H12N2O5
Molecular Weight:
312.2769
IUPAC Name:
4-[4-(4-nitrophenyl)anilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C16H12N2O5/c19-15(9-10-16(20)21)17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18(22)23/h1-10H,(H,17,19)(H,20,21)
InChI Key:
URZIPQUZRRJBQQ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.281g/mol
Monoisotopic Mass:
312.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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