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207226-02-6 | Benzenamine, 3-ethynyl-, hydrochloride (1:1)
CAS No: 207226-02-6 Catalog No: AG002IW9 MDL No:MFCD12913913
Product Description
Catalog Number:
AG002IW9
Chemical Name:
Benzenamine, 3-ethynyl-, hydrochloride (1:1)
CAS Number:
207226-02-6
Molecular Formula:
C8H8ClN
Molecular Weight:
153.6088
MDL Number:
MFCD12913913
IUPAC Name:
3-ethynylaniline;hydrochloride
InChI:
InChI=1S/C8H7N.ClH/c1-2-7-4-3-5-8(9)6-7;/h1,3-6H,9H2;1H
InChI Key:
CUNYDQJCQAWKLK-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)N.Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.609g/mol
Monoisotopic Mass:
153.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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