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Home > Nitro Compounds > 50508-34-4
50508-34-4 | 1-[(4-nitrophenoxy)acetyl]pyrrolidine
CAS No: 50508-34-4 Catalog No: AG00JH24 MDL No:MFCD03130952
Product Description
Catalog Number:
AG00JH24
Chemical Name:
1-[(4-nitrophenoxy)acetyl]pyrrolidine
CAS Number:
50508-34-4
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD03130952
IUPAC Name:
2-(4-nitrophenoxy)-1-pyrrolidin-1-ylethanone
InChI:
InChI=1S/C12H14N2O4/c15-12(13-7-1-2-8-13)9-18-11-5-3-10(4-6-11)14(16)17/h3-6H,1-2,7-9H2
InChI Key:
UQYFUARYMROWQH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
302
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:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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