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Home > Bromides > 1236357-65-5
1236357-65-5 | Cyclobutanecarboxylic acid, 1-(4-bromophenyl)-, methyl ester
CAS No: 1236357-65-5 Catalog No: AG000KWO MDL No:MFCD18711569
Product Description
Catalog Number:
AG000KWO
Chemical Name:
Cyclobutanecarboxylic acid, 1-(4-bromophenyl)-, methyl ester
CAS Number:
1236357-65-5
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
MDL Number:
MFCD18711569
IUPAC Name:
methyl 1-(4-bromophenyl)cyclobutane-1-carboxylate
InChI:
InChI=1S/C12H13BrO2/c1-15-11(14)12(7-2-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
LZYFYTYZRWWHCD-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC1)c1ccc(cc1)Br
Properties
Complexity:
240
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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