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1027019-12-0 | Benzoxazole, 6-chloro-2-ethyl-
CAS No: 1027019-12-0 Catalog No: AG00085Z MDL No:MFCD21641331
Product Description
Catalog Number:
AG00085Z
Chemical Name:
Benzoxazole, 6-chloro-2-ethyl-
CAS Number:
1027019-12-0
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD21641331
IUPAC Name:
6-chloro-2-ethyl-1,3-benzoxazole
InChI:
InChI=1S/C9H8ClNO/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2H2,1H3
InChI Key:
GWVZBQGQQUJCCT-UHFFFAOYSA-N
SMILES:
CCc1nc2c(o1)cc(cc2)Cl
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:
3.2
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