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Home > Bromides > 1053656-88-4
1053656-88-4 | [2-(2-Bromobenzyl)thiazol-4-ylacetic acid
CAS No: 1053656-88-4 Catalog No: AG01FBGL MDL No:
Product Description
Catalog Number:
AG01FBGL
Chemical Name:
[2-(2-Bromobenzyl)thiazol-4-ylacetic acid
CAS Number:
1053656-88-4
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
IUPAC Name:
2-[2-[(2-bromophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C12H10BrNO2S/c13-10-4-2-1-3-8(10)5-11-14-9(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChI Key:
AAITWCULMSKIBS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Cc1ccccc1Br
Properties
Complexity:
277
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:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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