Home Halogens (6-chlorobenzo[d]isoxazol-3-yl)methanol

(6-chlorobenzo[d]isoxazol-3-yl)methanol

CAS No.:
1200219-14-2
Catalog Number:
AG01BU8T
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
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Product Description
Catalog Number:
AG01BU8T
Chemical Name:
(6-chlorobenzo[d]isoxazol-3-yl)methanol
CAS Number:
1200219-14-2
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
MDL Number:
MFCD22377834
IUPAC Name:
(6-chloro-1,2-benzoxazol-3-yl)methanol
InChI:
InChI=1S/C8H6ClNO2/c9-5-1-2-6-7(4-11)10-12-8(6)3-5/h1-3,11H,4H2
InChI Key:
SNCGMLZHTOOGNA-UHFFFAOYSA-N
SMILES:
OCc1noc2c1ccc(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:
1  
Isotope Atom Count:
0
Molecular Weight:
183.591g/mol
Monoisotopic Mass:
183.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties