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89294-84-8 | Butanoic acid, 2-bromo-3,3-dichloro-, methyl ester
CAS No: 89294-84-8 Catalog No: AG0040WZ MDL No:
Product Description
Catalog Number:
AG0040WZ
Chemical Name:
Butanoic acid, 2-bromo-3,3-dichloro-, methyl ester
CAS Number:
89294-84-8
Molecular Formula:
C5H7BrCl2O2
Molecular Weight:
249.9179
IUPAC Name:
methyl 2-bromo-3,3-dichlorobutanoate
InChI:
InChI=1S/C5H7BrCl2O2/c1-5(7,8)3(6)4(9)10-2/h3H,1-2H3
InChI Key:
QULCHYSMJBVVEC-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(Cl)(Cl)C)Br
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.901g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.913g/mol
Monoisotopic Mass:
247.901g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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