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188890-67-7 | 1H-Tetrazole, 5-bromo-1-[(4-methoxyphenyl)methyl]-
CAS No: 188890-67-7 Catalog No: AG002HFX MDL No:
Product Description
Catalog Number:
AG002HFX
Chemical Name:
1H-Tetrazole, 5-bromo-1-[(4-methoxyphenyl)methyl]-
CAS Number:
188890-67-7
Molecular Formula:
C9H9BrN4O
Molecular Weight:
269.0980
IUPAC Name:
5-bromo-1-[(4-methoxyphenyl)methyl]tetrazole
InChI:
InChI=1S/C9H9BrN4O/c1-15-8-4-2-7(3-5-8)6-14-9(10)11-12-13-14/h2-5H,6H2,1H3
InChI Key:
BAKNLXDAECNJCI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nnnc1Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.102g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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