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Home > Bromides > 1818257-71-4
1818257-71-4 | Cyclopropanecarboxylic acid, 2-(5-bromo-2-thienyl)-, (1R,2R)-rel-
CAS No: 1818257-71-4 Catalog No: AG00234O MDL No:
Product Description
Catalog Number:
AG00234O
Chemical Name:
Cyclopropanecarboxylic acid, 2-(5-bromo-2-thienyl)-, (1R,2R)-rel-
CAS Number:
1818257-71-4
Molecular Formula:
C8H7BrO2S
Molecular Weight:
247.1090
IUPAC Name:
(1S,2S)-2-(5-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C8H7BrO2S/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m0/s1
InChI Key:
RZYSPHTVUJNTOY-WHFBIAKZSA-N
SMILES:
OC(=O)[C@@H]1C[C@H]1c1ccc(s1)Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
245.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.106g/mol
Monoisotopic Mass:
245.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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