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1016536-08-5 | Benzonitrile, 4-(1-hydrazinylethyl)-
CAS No: 1016536-08-5 Catalog No: AG000535 MDL No:
Product Description
Catalog Number:
AG000535
Chemical Name:
Benzonitrile, 4-(1-hydrazinylethyl)-
CAS Number:
1016536-08-5
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
4-(1-hydrazinylethyl)benzonitrile
InChI:
InChI=1S/C9H11N3/c1-7(12-11)9-4-2-8(6-10)3-5-9/h2-5,7,12H,11H2,1H3
InChI Key:
FCYXPKXBKLFIAO-UHFFFAOYSA-N
SMILES:
NNC(c1ccc(cc1)C#N)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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