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31080-68-9 | Benzoxazole, 5-chloro-2-methoxy-
CAS No: 31080-68-9 Catalog No: AG00322O MDL No:
Product Description
Catalog Number:
AG00322O
Chemical Name:
Benzoxazole, 5-chloro-2-methoxy-
CAS Number:
31080-68-9
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
IUPAC Name:
5-chloro-2-methoxy-1,3-benzoxazole
InChI:
InChI=1S/C8H6ClNO2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3
InChI Key:
SCYNFLAVUZUFTM-UHFFFAOYSA-N
SMILES:
COc1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.591g/mol
Monoisotopic Mass:
183.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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