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89705-82-8 | 2-Benzoxazolamine, N-2-butynyl-
CAS No: 89705-82-8 Catalog No: AG0043Y5 MDL No:
Product Description
Catalog Number:
AG0043Y5
Chemical Name:
2-Benzoxazolamine, N-2-butynyl-
CAS Number:
89705-82-8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
N-but-2-ynyl-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C11H10N2O/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,8H2,1H3,(H,12,13)
InChI Key:
VZMJXTIWACAYNZ-UHFFFAOYSA-N
SMILES:
CC#CCNc1nc2c(o1)cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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