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Home > Nitro Compounds > 338779-44-5
338779-44-5 | (2E)-3-(4-nitrophenyl)-1-[2-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
CAS No: 338779-44-5 Catalog No: AG00IYHW MDL No:MFCD00139012
Product Description
Catalog Number:
AG00IYHW
Chemical Name:
(2E)-3-(4-nitrophenyl)-1-[2-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
CAS Number:
338779-44-5
Molecular Formula:
C15H10N4O3
Molecular Weight:
294.2649
MDL Number:
MFCD00139012
IUPAC Name:
(E)-3-(4-nitrophenyl)-1-[2-(triazirin-1-yl)phenyl]prop-2-en-1-one
InChI:
InChI=1S/C15H10N4O3/c20-15(13-3-1-2-4-14(13)18-16-17-18)10-7-11-5-8-12(9-6-11)19(21)22/h1-10H/b10-7+
InChI Key:
ZEFBKMZTYMSNQL-JXMROGBWSA-N
SMILES:
O=C(c1ccccc1N1N=N1)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.27g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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