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Home > Nitro Compounds > 331845-96-6
331845-96-6 | 2-Nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide
CAS No: 331845-96-6 Catalog No: AG00I6G0 MDL No:MFCD00978285
Product Description
Catalog Number:
AG00I6G0
Chemical Name:
2-Nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide
CAS Number:
331845-96-6
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD00978285
IUPAC Name:
2-nitro-N-(oxolan-2-ylmethyl)benzamide
InChI:
InChI=1S/C12H14N2O4/c15-12(13-8-9-4-3-7-18-9)10-5-1-2-6-11(10)14(16)17/h1-2,5-6,9H,3-4,7-8H2,(H,13,15)
InChI Key:
IZBCSUJISWFSPG-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:
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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