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954228-62-7 | 5-Bromo-N-isopropyl-3-nitropyridin-2-amine
CAS No: 954228-62-7 Catalog No: AG003MKP MDL No:MFCD08692141
Product Description
Catalog Number:
AG003MKP
Chemical Name:
5-Bromo-N-isopropyl-3-nitropyridin-2-amine
CAS Number:
954228-62-7
Molecular Formula:
C8H10BrN3O2
Molecular Weight:
260.0879
MDL Number:
MFCD08692141
IUPAC Name:
5-bromo-3-nitro-N-propan-2-ylpyridin-2-amine
InChI:
InChI=1S/C8H10BrN3O2/c1-5(2)11-8-7(12(13)14)3-6(9)4-10-8/h3-5H,1-2H3,(H,10,11)
InChI Key:
RHRLTPGUMVDKSS-UHFFFAOYSA-N
SMILES:
CC(Nc1ncc(cc1[N+](=O)[O-])Br)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.091g/mol
Monoisotopic Mass:
258.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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