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Home > Nitro Compounds > 38270-15-4
38270-15-4 | (2E)-1,3-bis(3-nitrophenyl)prop-2-en-1-one
CAS No: 38270-15-4 Catalog No: AG00JU45 MDL No:MFCD00024516
Product Description
Catalog Number:
AG00JU45
Chemical Name:
(2E)-1,3-bis(3-nitrophenyl)prop-2-en-1-one
CAS Number:
38270-15-4
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
MDL Number:
MFCD00024516
IUPAC Name:
(E)-1,3-bis(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H10N2O5/c18-15(12-4-2-6-14(10-12)17(21)22)8-7-11-3-1-5-13(9-11)16(19)20/h1-10H/b8-7+
InChI Key:
OGRKRAXPDZRSJL-BQYQJAHWSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1cccc(c1)[N+](=O)[O-]
NSC Number:
171304
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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