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209850-73-7 | Benzenamine, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS No: 209850-73-7 Catalog No: AG002KFF MDL No:
Product Description
Catalog Number:
AG002KFF
Chemical Name:
Benzenamine, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS Number:
209850-73-7
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]aniline
InChI:
InChI=1S/C12H16N2O/c1-8(2)11-7-15-12(14-11)9-5-3-4-6-10(9)13/h3-6,8,11H,7,13H2,1-2H3/t11-/m1/s1
InChI Key:
MTFONYAWPYWYHF-LLVKDONJSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1N)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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