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Home > Nitro Compounds > 329939-82-4
329939-82-4 | N-(2-furylmethyl)-4-nitrobenzamide
CAS No: 329939-82-4 Catalog No: AG00I6C8 MDL No:MFCD00439028
Product Description
Catalog Number:
AG00I6C8
Chemical Name:
N-(2-furylmethyl)-4-nitrobenzamide
CAS Number:
329939-82-4
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD00439028
IUPAC Name:
N-(furan-2-ylmethyl)-4-nitrobenzamide
InChI:
InChI=1S/C12H10N2O4/c15-12(13-8-11-2-1-7-18-11)9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChI Key:
JPHKHMWMYZLRQR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NCc1ccco1
Properties
Complexity:
308
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
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