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21166-30-3 | 2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS No: 21166-30-3 Catalog No: AG00BCUA MDL No:MFCD06738364
Product Description
Catalog Number:
AG00BCUA
Chemical Name:
2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS Number:
21166-30-3
Molecular Formula:
C10H6BrNOS
Molecular Weight:
268.1297
MDL Number:
MFCD06738364
IUPAC Name:
2-(4-bromophenyl)-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
InChI Key:
KOMFNSXHHNSAFR-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)c1ccc(cc1)Br
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.128g/mol
Monoisotopic Mass:
266.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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