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20428-74-4

20428-74-4 | Acetic acid, 2-bromo-2-chloro-, methyl ester

CAS No: 20428-74-4 Catalog No: AG0029DX MDL No:

Product Description

Catalog Number:
AG0029DX
Chemical Name:
Acetic acid, 2-bromo-2-chloro-, methyl ester
CAS Number:
20428-74-4
Molecular Formula:
C3H4BrClO2
Molecular Weight:
187.4197
IUPAC Name:
methyl 2-bromo-2-chloroacetate
InChI:
InChI=1S/C3H4BrClO2/c1-7-3(6)2(4)5/h2H,1H3
InChI Key:
WIBYPHGWXYLWQX-UHFFFAOYSA-N
SMILES:
COC(=O)C(Br)Cl

Properties

Complexity:
75.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.908g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.417g/mol
Monoisotopic Mass:
185.908g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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