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Home Halogens Methyl (3-chloro-1h-1,2,4-triazol-1-yl)acetate

Methyl (3-chloro-1h-1,2,4-triazol-1-yl)acetate

CAS No.:
1308384-35-1
Catalog Number:
AG00HS9M
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00HS9M
Chemical Name:
Methyl (3-chloro-1h-1,2,4-triazol-1-yl)acetate
CAS Number:
1308384-35-1
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
MDL Number:
MFCD18917071
IUPAC Name:
methyl 2-(3-chloro-1,2,4-triazol-1-yl)acetate
InChI:
InChI=1S/C5H6ClN3O2/c1-11-4(10)2-9-3-7-5(6)8-9/h3H,2H2,1H3
InChI Key:
MSUOBKMEIQMTGP-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cnc(n1)Cl
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.572g/mol
Monoisotopic Mass:
175.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties