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Home > Nitro Compounds > 65211-54-3
65211-54-3 | Benzamide, N-[(4-nitrophenyl)methyl]-2-(2-propynyloxy)-
CAS No: 65211-54-3 Catalog No: AG00H70C MDL No:
Product Description
Catalog Number:
AG00H70C
Chemical Name:
Benzamide, N-[(4-nitrophenyl)methyl]-2-(2-propynyloxy)-
CAS Number:
65211-54-3
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
N-[(4-nitrophenyl)methyl]-2-prop-2-ynoxybenzamide
InChI:
InChI=1S/C17H14N2O4/c1-2-11-23-16-6-4-3-5-15(16)17(20)18-12-13-7-9-14(10-8-13)19(21)22/h1,3-10H,11-12H2,(H,18,20)
InChI Key:
GIJPMIQKGFZHAS-UHFFFAOYSA-N
SMILES:
C#CCOc1ccccc1C(=O)NCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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