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189025-09-0 | 2H-Tetrazole, 2-(2-bromo-1-methylethyl)-
CAS No: 189025-09-0 Catalog No: AG002HPT MDL No:
Product Description
Catalog Number:
AG002HPT
Chemical Name:
2H-Tetrazole, 2-(2-bromo-1-methylethyl)-
CAS Number:
189025-09-0
Molecular Formula:
C4H7BrN4
Molecular Weight:
191.0292
IUPAC Name:
2-(1-bromopropan-2-yl)tetrazole
InChI:
InChI=1S/C4H7BrN4/c1-4(2-5)9-7-3-6-8-9/h3-4H,2H2,1H3
InChI Key:
AROWRUDDYMCNPY-UHFFFAOYSA-N
SMILES:
BrCC(n1nncn1)C
Properties
Complexity:
88.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.985g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.032g/mol
Monoisotopic Mass:
189.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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