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Home > Nitro Compounds > 63467-28-7
63467-28-7 | 3-[2-(4-Nitrophenyl)hydrazono]butyric acid ethyl ester
CAS No: 63467-28-7 Catalog No: AG00F5Z9 MDL No:MFCD00126773
Product Description
Catalog Number:
AG00F5Z9
Chemical Name:
3-[2-(4-Nitrophenyl)hydrazono]butyric acid ethyl ester
CAS Number:
63467-28-7
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
MDL Number:
MFCD00126773
IUPAC Name:
ethyl 3-[(4-nitrophenyl)hydrazinylidene]butanoate
InChI:
InChI=1S/C12H15N3O4/c1-3-19-12(16)8-9(2)13-14-10-4-6-11(7-5-10)15(17)18/h4-7,14H,3,8H2,1-2H3
InChI Key:
DNYHQQPGIDWVRQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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