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92972-48-0 | 2,4-Dichloro-5-thiazolecarboxaldehyde
CAS No: 92972-48-0 Catalog No: AG003FQN MDL No:MFCD00793013
Product Description
Catalog Number:
AG003FQN
Chemical Name:
2,4-Dichloro-5-thiazolecarboxaldehyde
CAS Number:
92972-48-0
Molecular Formula:
C4HCl2NOS
Molecular Weight:
182.0278
MDL Number:
MFCD00793013
IUPAC Name:
2,4-dichloro-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChI Key:
CFEKBKCGPASOFI-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)Cl
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.916g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.018g/mol
Monoisotopic Mass:
180.916g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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