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Home > Nitro Compounds > 87740-08-7
87740-08-7 | Benzamide, 4-[(3-nitrophenoxy)methyl]-
CAS No: 87740-08-7 Catalog No: AG004LNP MDL No:
Product Description
Catalog Number:
AG004LNP
Chemical Name:
Benzamide, 4-[(3-nitrophenoxy)methyl]-
CAS Number:
87740-08-7
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
4-[(3-nitrophenoxy)methyl]benzamide
InChI:
InChI=1S/C14H12N2O4/c15-14(17)11-6-4-10(5-7-11)9-20-13-3-1-2-12(8-13)16(18)19/h1-8H,9H2,(H2,15,17)
InChI Key:
SMLAVQLKCSJIIJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCc1ccc(cc1)C(=O)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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