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Home > Nitro Compounds > 855308-69-9
855308-69-9 | 2-{3-[(1E)-2-nitroprop-1-en-1-yl]phenoxy}pyrimidine
CAS No: 855308-69-9 Catalog No: AG00IXPD MDL No:MFCD03791172
Product Description
Catalog Number:
AG00IXPD
Chemical Name:
2-{3-[(1E)-2-nitroprop-1-en-1-yl]phenoxy}pyrimidine
CAS Number:
855308-69-9
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD03791172
IUPAC Name:
2-[3-(2-nitroprop-1-enyl)phenoxy]pyrimidine
InChI:
InChI=1S/C13H11N3O3/c1-10(16(17)18)8-11-4-2-5-12(9-11)19-13-14-6-3-7-15-13/h2-9H,1H3
InChI Key:
JOPUTQJJORGABZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C(=C/c1cccc(c1)Oc1ncccn1)/C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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