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1131588-15-2 | 3-Iodo-4-(1H-tetrazol-5-yl)benzoic acid
CAS No: 1131588-15-2 Catalog No: AG00HCJ9 MDL No:
Product Description
Catalog Number:
AG00HCJ9
Chemical Name:
3-Iodo-4-(1H-tetrazol-5-yl)benzoic acid
CAS Number:
1131588-15-2
IUPAC Name:
3-iodo-4-(2H-tetrazol-5-yl)benzoic acid
InChI:
InChI=1S/C8H5IN4O2/c9-6-3-4(8(14)15)1-2-5(6)7-10-12-13-11-7/h1-3H,(H,14,15)(H,10,11,12,13)
InChI Key:
ZTJYFGKYTVPQQK-UHFFFAOYSA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.058g/mol
Monoisotopic Mass:
315.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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