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Home > Nitro Compounds > 74958-71-7
74958-71-7 | N-(3,5-Dinitrobenzoyl)-DL-α-phenylglycine
CAS No: 74958-71-7 Catalog No: AG003SAE MDL No:MFCD00064469
Product Description
Catalog Number:
AG003SAE
Chemical Name:
N-(3,5-Dinitrobenzoyl)-DL-α-phenylglycine
CAS Number:
74958-71-7
Molecular Formula:
C15H11N3O7
Molecular Weight:
345.2637
MDL Number:
MFCD00064469
IUPAC Name:
2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid
InChI:
InChI=1S/C15H11N3O7/c19-14(16-13(15(20)21)9-4-2-1-3-5-9)10-6-11(17(22)23)8-12(7-10)18(24)25/h1-8,13H,(H,16,19)(H,20,21)
InChI Key:
MIVUDAUOXJDARR-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.06g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.267g/mol
Monoisotopic Mass:
345.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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