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1185439-82-0 | 2-(1H-1,2,3-benzotriazol-1-yl)ethanamine hydrobromide
CAS No: 1185439-82-0 Catalog No: AG00J13B MDL No:MFCD09870071
Product Description
Catalog Number:
AG00J13B
Chemical Name:
2-(1H-1,2,3-benzotriazol-1-yl)ethanamine hydrobromide
CAS Number:
1185439-82-0
Molecular Formula:
C8H11BrN4
Molecular Weight:
243.1037
MDL Number:
MFCD09870071
IUPAC Name:
2-(benzotriazol-1-yl)ethanamine;hydrobromide
InChI:
InChI=1S/C8H10N4.BrH/c9-5-6-12-8-4-2-1-3-7(8)10-11-12;/h1-4H,5-6,9H2;1H
InChI Key:
RALFZIAXIQISHJ-UHFFFAOYSA-N
SMILES:
NCCn1nnc2c1cccc2.Br
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.108g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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