Home Halogens Methyl 2-(chloromethyl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole-3-carboxylate

Methyl 2-(chloromethyl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole-3-carboxylate

CAS No.:
1707562-64-8
Catalog Number:
AG00HZGW
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
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Product Description
Catalog Number:
AG00HZGW
Chemical Name:
Methyl 2-(chloromethyl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole-3-carboxylate
CAS Number:
1707562-64-8
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD26130366
IUPAC Name:
methyl 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate
InChI:
InChI=1S/C9H11ClN2O2/c1-14-9(13)8-6(5-10)11-12-4-2-3-7(8)12/h2-5H2,1H3
InChI Key:
USJQOOQTQVTSKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(CCl)nn2c1CCC2
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties