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86691-37-4 | Butanenitrile, 3-[1-(2-benzoxazolyl)hydrazino]-
CAS No: 86691-37-4 Catalog No: AG004KLC MDL No:
Product Description
Catalog Number:
AG004KLC
Chemical Name:
Butanenitrile, 3-[1-(2-benzoxazolyl)hydrazino]-
CAS Number:
86691-37-4
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
3-[amino(1,3-benzoxazol-2-yl)amino]butanenitrile
InChI:
InChI=1S/C11H12N4O/c1-8(6-7-12)15(13)11-14-9-4-2-3-5-10(9)16-11/h2-5,8H,6,13H2,1H3
InChI Key:
PVKHGRDZZVZRPD-UHFFFAOYSA-N
SMILES:
N#CCC(N(c1nc2c(o1)cccc2)N)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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