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533887-89-7 | 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CAS No: 533887-89-7 Catalog No: AG01BUXM MDL No:MFCD30497566
Product Description
Catalog Number:
AG01BUXM
Chemical Name:
2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CAS Number:
533887-89-7
Molecular Formula:
C4HBrClNOS
Molecular Weight:
226.4788
MDL Number:
MFCD30497566
IUPAC Name:
2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C4HBrClNOS/c5-4-7-3(6)2(1-8)9-4/h1H
InChI Key:
BFBUJEAWHKPSRJ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)Br
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.865g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.472g/mol
Monoisotopic Mass:
224.865g/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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