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1329171-69-8 | Carbamic acid, N-[(1S)-1-(4-chloro-2-pyridinyl)-3-buten-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1329171-69-8 Catalog No: AG0011DP MDL No:
Product Description
Catalog Number:
AG0011DP
Chemical Name:
Carbamic acid, N-[(1S)-1-(4-chloro-2-pyridinyl)-3-buten-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1329171-69-8
Molecular Formula:
C14H19ClN2O2
Molecular Weight:
282.7659
IUPAC Name:
tert-butyl N-[(1S)-1-(4-chloropyridin-2-yl)but-3-enyl]carbamate
InChI:
InChI=1S/C14H19ClN2O2/c1-5-6-11(12-9-10(15)7-8-16-12)17-13(18)19-14(2,3)4/h5,7-9,11H,1,6H2,2-4H3,(H,17,18)/t11-/m0/s1
InChI Key:
TYTXYIDIHBTPHK-NSHDSACASA-N
SMILES:
C=CC[C@@H](c1nccc(c1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.768g/mol
Monoisotopic Mass:
282.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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