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93794-06-0 | 3-(1-(2-benzoxazolyl)hydrazino)propanenitrile
CAS No: 93794-06-0 Catalog No: AG00H20F MDL No:MFCD10758061
Product Description
Catalog Number:
AG00H20F
Chemical Name:
3-(1-(2-benzoxazolyl)hydrazino)propanenitrile
CAS Number:
93794-06-0
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
MDL Number:
MFCD10758061
IUPAC Name:
3-[amino(1,3-benzoxazol-2-yl)amino]propanenitrile
InChI:
InChI=1S/C10H10N4O/c11-6-3-7-14(12)10-13-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,7,12H2
InChI Key:
BTWPJQHMHFDOPH-UHFFFAOYSA-N
SMILES:
N#CCCN(c1nc2c(o1)cccc2)N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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