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Home > Bromides > 1501854-55-2
1501854-55-2 | 2-Thiazolecarboxylic acid, 5-bromo-4-(cyclohexylmethyl)-
CAS No: 1501854-55-2 Catalog No: AG001MDP MDL No:
Product Description
Catalog Number:
AG001MDP
Chemical Name:
2-Thiazolecarboxylic acid, 5-bromo-4-(cyclohexylmethyl)-
CAS Number:
1501854-55-2
Molecular Formula:
C11H14BrNO2S
Molecular Weight:
304.2034
IUPAC Name:
5-bromo-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C11H14BrNO2S/c12-9-8(13-10(16-9)11(14)15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15)
InChI Key:
ZSVCTYLDOXLOSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(c(s1)Br)CC1CCCCC1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.202g/mol
Monoisotopic Mass:
302.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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