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2055840-88-3 | Cyclopentanecarboxylic acid, 3-bromo-, methyl ester, (1R,3R)-rel-
CAS No: 2055840-88-3 Catalog No: AG002A71 MDL No:
Product Description
Catalog Number:
AG002A71
Chemical Name:
Cyclopentanecarboxylic acid, 3-bromo-, methyl ester, (1R,3R)-rel-
CAS Number:
2055840-88-3
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
IUPAC Name:
methyl (1S,3S)-3-bromocyclopentane-1-carboxylate
InChI:
InChI=1S/C7H11BrO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChI Key:
NBNSTTSIQITBMQ-WDSKDSINSA-N
SMILES:
COC(=O)[C@@H]1CC[C@H](C1)Br
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.067g/mol
Monoisotopic Mass:
205.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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