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72345-91-6 | Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, methyl ester, (1R,3R)-rel-
CAS No: 72345-91-6 Catalog No: AG0009UK MDL No:
Product Description
Catalog Number:
AG0009UK
Chemical Name:
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, methyl ester, (1R,3R)-rel-
CAS Number:
72345-91-6
Molecular Formula:
C9H12Br2O2
Molecular Weight:
311.9984
IUPAC Name:
methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
InChI:
InChI=1S/C9H12Br2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3/t5-,7-/m0/s1
InChI Key:
YSILGROPIYCDQO-FSPLSTOPSA-N
SMILES:
COC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
311.918g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.001g/mol
Monoisotopic Mass:
309.92g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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