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85896-08-8 | 2-Pyridinamine,N-(5-chloro-2-methoxy-4-nitrophenyl)-
CAS No: 85896-08-8 Catalog No: AG004WUU MDL No:
Product Description
Catalog Number:
AG004WUU
Chemical Name:
2-Pyridinamine,N-(5-chloro-2-methoxy-4-nitrophenyl)-
CAS Number:
85896-08-8
Molecular Formula:
C12H10ClN3O3
Molecular Weight:
279.6791
IUPAC Name:
N-(5-chloro-2-methoxy-4-nitrophenyl)pyridin-2-amine
InChI:
InChI=1S/C12H10ClN3O3/c1-19-11-7-10(16(17)18)8(13)6-9(11)15-12-4-2-3-5-14-12/h2-7H,1H3,(H,14,15)
InChI Key:
REVBFPFZYQRHLX-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1Nc1ccccn1)Cl
EC Number:
288-785-8
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.68g/mol
Monoisotopic Mass:
279.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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