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Home > Nitro Compounds > 866019-61-6
866019-61-6 | (2E)-3-[4-(morpholin-4-yl)-3-nitrophenyl]-2-(thiophen-2-yl)prop-2-enenitrile
CAS No: 866019-61-6 Catalog No: AG00IU6B MDL No:MFCD04125482
Product Description
Catalog Number:
AG00IU6B
Chemical Name:
(2E)-3-[4-(morpholin-4-yl)-3-nitrophenyl]-2-(thiophen-2-yl)prop-2-enenitrile
CAS Number:
866019-61-6
Molecular Formula:
C17H15N3O3S
Molecular Weight:
341.3843
MDL Number:
MFCD04125482
IUPAC Name:
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)-2-thiophen-2-ylprop-2-enenitrile
InChI:
InChI=1S/C17H15N3O3S/c18-12-14(17-2-1-9-24-17)10-13-3-4-15(16(11-13)20(21)22)19-5-7-23-8-6-19/h1-4,9-11H,5-8H2/b14-10+
InChI Key:
MAVPWXZBXORPJP-GXDHUFHOSA-N
SMILES:
N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)/c1cccs1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
341.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.385g/mol
Monoisotopic Mass:
341.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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