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1226217-29-3 | Benzeneacetic acid, 4-bromo-α-cyclopropyl-, methyl ester
CAS No: 1226217-29-3 Catalog No: AG0017K0 MDL No:
Product Description
Catalog Number:
AG0017K0
Chemical Name:
Benzeneacetic acid, 4-bromo-α-cyclopropyl-, methyl ester
CAS Number:
1226217-29-3
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
IUPAC Name:
methyl 2-(4-bromophenyl)-2-cyclopropylacetate
InChI:
InChI=1S/C12H13BrO2/c1-15-12(14)11(8-2-3-8)9-4-6-10(13)7-5-9/h4-8,11H,2-3H2,1H3
InChI Key:
VKERABJRFBENTG-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)Br)C1CC1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.138g/mol
Monoisotopic Mass:
268.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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