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Methyl 2-Bromooctanoate

CAS No.:
5445-22-7
Catalog Number:
AG00355Y
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
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Product Description
Catalog Number:
AG00355Y
Chemical Name:
Methyl 2-Bromooctanoate
CAS Number:
5445-22-7
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
MDL Number:
MFCD00800218
IUPAC Name:
methyl 2-bromooctanoate
InChI:
InChI=1S/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3
InChI Key:
RCMQQTUVWBXJQS-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OC)Br
EC Number:
226-644-4
NSC Number:
21981
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties