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191602-76-3 | 2H-Tetrazole, 5-(3-bromo-4-methoxyphenyl)-
CAS No: 191602-76-3 Catalog No: AG002FD4 MDL No:MFCD06738317
Product Description
Catalog Number:
AG002FD4
Chemical Name:
2H-Tetrazole, 5-(3-bromo-4-methoxyphenyl)-
CAS Number:
191602-76-3
Molecular Formula:
C8H7BrN4O
Molecular Weight:
255.0714
MDL Number:
MFCD06738317
IUPAC Name:
5-(3-bromo-4-methoxyphenyl)-2H-tetrazole
InChI:
InChI=1S/C8H7BrN4O/c1-14-7-3-2-5(4-6(7)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChI Key:
VKMQSSCIJPVXSH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)c1n[nH]nn1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.075g/mol
Monoisotopic Mass:
253.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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