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Home > Nitro Compounds > 120275-54-9
120275-54-9 | N-[(furan-2-yl)methyl]-2-nitrobenzamide
CAS No: 120275-54-9 Catalog No: AG00IW8H MDL No:MFCD00734539
Product Description
Catalog Number:
AG00IW8H
Chemical Name:
N-[(furan-2-yl)methyl]-2-nitrobenzamide
CAS Number:
120275-54-9
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD00734539
IUPAC Name:
N-(furan-2-ylmethyl)-2-nitrobenzamide
InChI:
InChI=1S/C12H10N2O4/c15-12(13-8-9-4-3-7-18-9)10-5-1-2-6-11(10)14(16)17/h1-7H,8H2,(H,13,15)
InChI Key:
UACAWKQFCADZEV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NCc1ccco1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Furan ring opening-pyrrole ring closure: a new synthetic route to aryl(heteroaryl)-annulated pyrrolo[1,2-a][1,4]diazepines. | Organic & biomolecular chemistry 20100721 |
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