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80661-61-6 | 2-(1H-indol-3-yl)ethanimidamide hydrochloride
CAS No: 80661-61-6 Catalog No: AG00JSWX MDL No:MFCD09607962
Product Description
Catalog Number:
AG00JSWX
Chemical Name:
2-(1H-indol-3-yl)ethanimidamide hydrochloride
CAS Number:
80661-61-6
Molecular Formula:
C10H12ClN3
Molecular Weight:
209.6754
MDL Number:
MFCD09607962
IUPAC Name:
2-(1H-indol-3-yl)ethanimidamide;hydrochloride
InChI:
InChI=1S/C10H11N3.ClH/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9;/h1-4,6,13H,5H2,(H3,11,12);1H
InChI Key:
MVJVVGIRNIJOFW-UHFFFAOYSA-N
SMILES:
NC(=N)Cc1c[nH]c2c1cccc2.Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.677g/mol
Monoisotopic Mass:
209.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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