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Home > Nitro Compounds > 251310-76-6
251310-76-6 | (2Z)-2-[(1E)-(methoxyimino)methyl]-3-[1-methyl-4-(4-nitrobenzoyl)-1H-pyrrol-2-yl]prop-2-enenitrile
CAS No: 251310-76-6 Catalog No: AG00IPI4 MDL No:MFCD00663669
Product Description
Catalog Number:
AG00IPI4
Chemical Name:
(2Z)-2-[(1E)-(methoxyimino)methyl]-3-[1-methyl-4-(4-nitrobenzoyl)-1H-pyrrol-2-yl]prop-2-enenitrile
CAS Number:
251310-76-6
Molecular Formula:
C17H14N4O4
Molecular Weight:
338.3175
MDL Number:
MFCD00663669
IUPAC Name:
2-(methoxyiminomethyl)-3-[1-methyl-4-(4-nitrobenzoyl)pyrrol-2-yl]prop-2-enenitrile
InChI:
InChI=1S/C17H14N4O4/c1-20-11-14(8-16(20)7-12(9-18)10-19-25-2)17(22)13-3-5-15(6-4-13)21(23)24/h3-8,10-11H,1-2H3
InChI Key:
CIXRRIMXXWVWGD-UHFFFAOYSA-N
SMILES:
CO/N=C/C(=C/c1cc(cn1C)C(=O)c1ccc(cc1)[N+](=O)[O-])/C#N
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.323g/mol
Monoisotopic Mass:
338.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.3
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