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Home > Nitro Compounds > 1155989-78-8
1155989-78-8 | N-[1-(furan-2-yl)ethyl]-2-nitroaniline
CAS No: 1155989-78-8 Catalog No: AG00JWI0 MDL No:MFCD12427814
Product Description
Catalog Number:
AG00JWI0
Chemical Name:
N-[1-(furan-2-yl)ethyl]-2-nitroaniline
CAS Number:
1155989-78-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD12427814
IUPAC Name:
N-[1-(furan-2-yl)ethyl]-2-nitroaniline
InChI:
InChI=1S/C12H12N2O3/c1-9(12-7-4-8-17-12)13-10-5-2-3-6-11(10)14(15)16/h2-9,13H,1H3
InChI Key:
TUILFANWKMNASD-UHFFFAOYSA-N
SMILES:
CC(c1ccco1)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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