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Home > Nitro Compounds > 1154327-08-8
1154327-08-8 | 2-nitro-N-[1-(thiophen-2-yl)ethyl]aniline
CAS No: 1154327-08-8 Catalog No: AG00JWI1 MDL No:MFCD12530297
Product Description
Catalog Number:
AG00JWI1
Chemical Name:
2-nitro-N-[1-(thiophen-2-yl)ethyl]aniline
CAS Number:
1154327-08-8
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
MDL Number:
MFCD12530297
IUPAC Name:
2-nitro-N-(1-thiophen-2-ylethyl)aniline
InChI:
InChI=1S/C12H12N2O2S/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:
GPUSTGWHIQIPEF-UHFFFAOYSA-N
SMILES:
CC(c1cccs1)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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