Home Other Building Blocks HE-CHEMICAL 0418965

HE-CHEMICAL 0418965

CAS No.:
1781019-20-2
Catalog Number:
AG01E6WU
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
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Product Description
Catalog Number:
AG01E6WU
Chemical Name:
HE-CHEMICAL 0418965
CAS Number:
1781019-20-2
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD28552169
IUPAC Name:
5-(aminomethyl)-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C8H9N3O/c9-4-5-1-2-7-6(3-5)11-8(10)12-7/h1-3H,4,9H2,(H2,10,11)
InChI Key:
QPGLXSDDLHYZKO-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)nc(o2)N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties