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Home > Aldehydes > 199851-22-4
199851-22-4 | 5-Thiazolecarboxaldehyde, 4-chloro-2-[(1,1-dimethylethyl)amino]-
CAS No: 199851-22-4 Catalog No: AG002CDP MDL No:MFCD03453082
Product Description
Catalog Number:
AG002CDP
Chemical Name:
5-Thiazolecarboxaldehyde, 4-chloro-2-[(1,1-dimethylethyl)amino]-
CAS Number:
199851-22-4
Molecular Formula:
C8H11ClN2OS
Molecular Weight:
218.7037
MDL Number:
MFCD03453082
IUPAC Name:
2-(tert-butylamino)-4-chloro-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H11ClN2OS/c1-8(2,3)11-7-10-6(9)5(4-12)13-7/h4H,1-3H3,(H,10,11)
InChI Key:
BJUOXASRTPRZCN-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)NC(C)(C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.699g/mol
Monoisotopic Mass:
218.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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