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Home > Bromides > 1216634-75-1
1216634-75-1 | 3-(2-Bromobenzyl)-1,2,4-oxadiazole-5-carboxylic acid
CAS No: 1216634-75-1 Catalog No: AG01F8F7 MDL No:
Product Description
Catalog Number:
AG01F8F7
Chemical Name:
3-(2-Bromobenzyl)-1,2,4-oxadiazole-5-carboxylic acid
CAS Number:
1216634-75-1
Molecular Formula:
C10H7BrN2O3
Molecular Weight:
283.0782
IUPAC Name:
3-[(2-bromophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O3/c11-7-4-2-1-3-6(7)5-8-12-9(10(14)15)16-13-8/h1-4H,5H2,(H,14,15)
InChI Key:
MLFVXCFXYPRACO-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Cc1noc(n1)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.081g/mol
Monoisotopic Mass:
281.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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