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Home > Bromides > 1053656-69-1
1053656-69-1 | 2-(2-Bromobenzyl)-4-methylthiazole-5-carboxylic acid
CAS No: 1053656-69-1 Catalog No: AG01F8E7 MDL No:
Product Description
Catalog Number:
AG01F8E7
Chemical Name:
2-(2-Bromobenzyl)-4-methylthiazole-5-carboxylic acid
CAS Number:
1053656-69-1
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
IUPAC Name:
2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H10BrNO2S/c1-7-11(12(15)16)17-10(14-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,15,16)
InChI Key:
OBRJANYGAXVVIP-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Cc1nc(c(s1)C(=O)O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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