Home Halogens propan-2-yl 4-(chloromethyl)benzoate

propan-2-yl 4-(chloromethyl)benzoate

CAS No.:
87234-10-4
Catalog Number:
AG01A1HN
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
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Product Description
Catalog Number:
AG01A1HN
Chemical Name:
propan-2-yl 4-(chloromethyl)benzoate
CAS Number:
87234-10-4
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD20527442
IUPAC Name:
propan-2-yl 4-(chloromethyl)benzoate
InChI:
InChI=1S/C11H13ClO2/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
NWGIOTOSMYVEKY-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(=O)OC(C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties