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735275-20-4 | CIS-3-[2-(2-BROMOPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS No: 735275-20-4 Catalog No: AG005D43 MDL No:
Product Description
Catalog Number:
AG005D43
Chemical Name:
CIS-3-[2-(2-BROMOPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
735275-20-4
Molecular Formula:
C15H17BrO3
Molecular Weight:
325.1977
IUPAC Name:
(1R,3S)-3-[2-(2-bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H17BrO3/c16-13-7-2-1-6-12(13)14(17)9-10-4-3-5-11(8-10)15(18)19/h1-2,6-7,10-11H,3-5,8-9H2,(H,18,19)/t10-,11+/m0/s1
InChI Key:
WWBDHSIOGABKMI-WDEREUQCSA-N
SMILES:
OC(=O)[C@H]1CCC[C@H](C1)CC(=O)c1ccccc1Br
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
324.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.202g/mol
Monoisotopic Mass:
324.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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