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1270077-25-2 | 2-Pyridinamine, N-[(5,5-dimethyl-1,4-dioxan-2-yl)methyl]-3,6-difluoro-
CAS No: 1270077-25-2 Catalog No: AG000WJW MDL No:
Product Description
Catalog Number:
AG000WJW
Chemical Name:
2-Pyridinamine, N-[(5,5-dimethyl-1,4-dioxan-2-yl)methyl]-3,6-difluoro-
CAS Number:
1270077-25-2
Molecular Formula:
C12H16F2N2O2
Molecular Weight:
258.2644
IUPAC Name:
N-[(5,5-dimethyl-1,4-dioxan-2-yl)methyl]-3,6-difluoropyridin-2-amine
InChI:
InChI=1S/C12H16F2N2O2/c1-12(2)7-17-8(6-18-12)5-15-11-9(13)3-4-10(14)16-11/h3-4,8H,5-7H2,1-2H3,(H,15,16)
InChI Key:
NDJUFGSQXCXFCN-UHFFFAOYSA-N
SMILES:
CC1(C)OCC(OC1)CNc1nc(F)ccc1F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.269g/mol
Monoisotopic Mass:
258.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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