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125037-79-8 | Ethenamine, 2-[1-(4-bromophenyl)-1H-tetrazol-5-yl]-N,N-dimethyl-
CAS No: 125037-79-8 Catalog No: AG000N0A MDL No:
Product Description
Catalog Number:
AG000N0A
Chemical Name:
Ethenamine, 2-[1-(4-bromophenyl)-1H-tetrazol-5-yl]-N,N-dimethyl-
CAS Number:
125037-79-8
Molecular Formula:
C11H12BrN5
Molecular Weight:
294.1505
IUPAC Name:
2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-dimethylethenamine
InChI:
InChI=1S/C11H12BrN5/c1-16(2)8-7-11-13-14-15-17(11)10-5-3-9(12)4-6-10/h3-8H,1-2H3
InChI Key:
VBTXQBLCCBZNKF-UHFFFAOYSA-N
SMILES:
CN(C=Cc1nnnn1c1ccc(cc1)Br)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.156g/mol
Monoisotopic Mass:
293.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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