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Home > Nitro Compounds > 331240-99-4
331240-99-4 | N-(furan-2-ylmethyl)-3-nitrobenzamide
CAS No: 331240-99-4 Catalog No: AG00I6EK MDL No:MFCD00686831
Product Description
Catalog Number:
AG00I6EK
Chemical Name:
N-(furan-2-ylmethyl)-3-nitrobenzamide
CAS Number:
331240-99-4
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD00686831
IUPAC Name:
N-(furan-2-ylmethyl)-3-nitrobenzamide
InChI:
InChI=1S/C12H10N2O4/c15-12(13-8-11-5-2-6-18-11)9-3-1-4-10(7-9)14(16)17/h1-7H,8H2,(H,13,15)
InChI Key:
ZRUFGTGGCIUPEC-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[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
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