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Home > Nitro Compounds > 90072-74-5
90072-74-5 | Benzoic acid, 2-(diazoacetyl)-5-nitro-, methyl ester
CAS No: 90072-74-5 Catalog No: AG00H8B0 MDL No:
Product Description
Catalog Number:
AG00H8B0
Chemical Name:
Benzoic acid, 2-(diazoacetyl)-5-nitro-, methyl ester
CAS Number:
90072-74-5
Molecular Formula:
C10H7N3O5
Molecular Weight:
249.1797
IUPAC Name:
methyl 2-(2-diazoacetyl)-5-nitrobenzoate
InChI:
InChI=1S/C10H7N3O5/c1-18-10(15)8-4-6(13(16)17)2-3-7(8)9(14)5-12-11/h2-5H,1H3
InChI Key:
XEYIFZGFULQWPU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)c1ccc(cc1C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.182g/mol
Monoisotopic Mass:
249.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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