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Home > Nitro Compounds > 1241-09-4
1241-09-4 | Benzeneacetonitrile, α-[(4-methoxy-3-nitrophenyl)methylene]-4-nitro-
CAS No: 1241-09-4 Catalog No: AG000LL6 MDL No:
Product Description
Catalog Number:
AG000LL6
Chemical Name:
Benzeneacetonitrile, α-[(4-methoxy-3-nitrophenyl)methylene]-4-nitro-
CAS Number:
1241-09-4
Molecular Formula:
C16H11N3O5
Molecular Weight:
325.2756
IUPAC Name:
(Z)-3-(4-methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H11N3O5/c1-24-16-7-2-11(9-15(16)19(22)23)8-13(10-17)12-3-5-14(6-4-12)18(20)21/h2-9H,1H3/b13-8+
InChI Key:
HQUZEVHAMSZKCG-MDWZMJQESA-N
SMILES:
N#CC(=Cc1ccc(c(c1)[N+](=O)[O-])OC)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
202004
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
325.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.28g/mol
Monoisotopic Mass:
325.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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