Home Other Building Blocks HE-CHEMICAL 0421888

HE-CHEMICAL 0421888

CAS No.:
1806287-19-3
Catalog Number:
AG01DYZN
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
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Product Description
Catalog Number:
AG01DYZN
Chemical Name:
HE-CHEMICAL 0421888
CAS Number:
1806287-19-3
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD28805271
IUPAC Name:
4-(chloromethyl)-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C9H8ClNO/c1-6-11-9-7(5-10)3-2-4-8(9)12-6/h2-4H,5H2,1H3
InChI Key:
JWWCWCYLRXAOEE-UHFFFAOYSA-N
SMILES:
ClCc1cccc2c1nc(o2)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties