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340211-91-8 | 2-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)propanedinitrile
CAS No: 340211-91-8 Catalog No: AG00ITBG MDL No:MFCD00129594
Product Description
Catalog Number:
AG00ITBG
Chemical Name:
2-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)propanedinitrile
CAS Number:
340211-91-8
Molecular Formula:
C17H11N3O3
Molecular Weight:
305.2875
MDL Number:
MFCD00129594
IUPAC Name:
2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C17H11N3O3/c18-10-15(11-19)9-13-3-7-17(8-4-13)23-12-14-1-5-16(6-2-14)20(21)22/h1-9H,12H2
InChI Key:
GQVFTXLMCHBYEH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.293g/mol
Monoisotopic Mass:
305.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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