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Home > Nitro Compounds > 329063-95-8
329063-95-8 | 4-Nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide
CAS No: 329063-95-8 Catalog No: AG00I6AV MDL No:MFCD00686848
Product Description
Catalog Number:
AG00I6AV
Chemical Name:
4-Nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide
CAS Number:
329063-95-8
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD00686848
IUPAC Name:
4-nitro-N-(oxolan-2-ylmethyl)benzamide
InChI:
InChI=1S/C12H14N2O4/c15-12(13-8-11-2-1-7-18-11)9-3-5-10(6-4-9)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)
InChI Key:
ZIDAIXFZQZFHDE-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:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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