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Home > Nitro Compounds > 899710-42-0
899710-42-0 | 3-nitro-5-[(3-phenylpropyl)thio]aniline
CAS No: 899710-42-0 Catalog No: AG00J6WN MDL No:MFCD12027403
Product Description
Catalog Number:
AG00J6WN
Chemical Name:
3-nitro-5-[(3-phenylpropyl)thio]aniline
CAS Number:
899710-42-0
Molecular Formula:
C15H16N2O2S
Molecular Weight:
288.3647
MDL Number:
MFCD12027403
IUPAC Name:
3-nitro-5-(3-phenylpropylsulfanyl)aniline
InChI:
InChI=1S/C15H16N2O2S/c16-13-9-14(17(18)19)11-15(10-13)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8,16H2
InChI Key:
VXWWJBQNXCOYDB-UHFFFAOYSA-N
SMILES:
Nc1cc(SCCCc2ccccc2)cc(c1)[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.365g/mol
Monoisotopic Mass:
288.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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