Home Halogens Isoxazole, 3-(chloromethyl)-5-(methoxymethyl)- (9CI)

Isoxazole, 3-(chloromethyl)-5-(methoxymethyl)- (9CI)

CAS No.:
167155-52-4
Catalog Number:
AG00B40A
Molecular Formula:
C6H8ClNO2
Molecular Weight:
161.5862
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Product Description
Catalog Number:
AG00B40A
Chemical Name:
Isoxazole, 3-(chloromethyl)-5-(methoxymethyl)- (9CI)
CAS Number:
167155-52-4
Molecular Formula:
C6H8ClNO2
Molecular Weight:
161.5862
MDL Number:
MFCD21706311
IUPAC Name:
3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole
InChI:
InChI=1S/C6H8ClNO2/c1-9-4-6-2-5(3-7)8-10-6/h2H,3-4H2,1H3
InChI Key:
VGBSQHXCJVGRDX-UHFFFAOYSA-N
SMILES:
COCc1cc(no1)CCl
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.024g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.585g/mol
Monoisotopic Mass:
161.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties