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26365-99-1 | 2H-Tetrazole-2-propanoic acid, 5-(3-bromophenyl)-
CAS No: 26365-99-1 Catalog No: AG002SVQ MDL No:
Product Description
Catalog Number:
AG002SVQ
Chemical Name:
2H-Tetrazole-2-propanoic acid, 5-(3-bromophenyl)-
CAS Number:
26365-99-1
Molecular Formula:
C10H9BrN4O2
Molecular Weight:
297.1081
IUPAC Name:
3-[5-(3-bromophenyl)tetrazol-2-yl]propanoic acid
InChI:
InChI=1S/C10H9BrN4O2/c11-8-3-1-2-7(6-8)10-12-14-15(13-10)5-4-9(16)17/h1-3,6H,4-5H2,(H,16,17)
InChI Key:
XXAATTBWMOQTIC-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1nnc(n1)c1cccc(c1)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.991g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.112g/mol
Monoisotopic Mass:
295.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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