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Home > Aldehydes > 1702051-29-3
1702051-29-3 | 4-chloro-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1702051-29-3 Catalog No: AG01C8LC MDL No:MFCD30203282
Product Description
Catalog Number:
AG01C8LC
Chemical Name:
4-chloro-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1702051-29-3
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD30203282
IUPAC Name:
4-chloro-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN2O2S/c1-14-6-2-3-12(4-6)9-11-8(10)7(5-13)15-9/h5-6H,2-4H2,1H3
InChI Key:
UMEQULFCCDEATC-UHFFFAOYSA-N
SMILES:
COC1CCN(C1)c1nc(c(s1)C=O)Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.709g/mol
Monoisotopic Mass:
246.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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