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950691-66-4 | methyl 1-(4-bromo-3-fluorobenzyl)azetidine-3-carboxylate
CAS No: 950691-66-4 Catalog No: AG01F7MB MDL No:
Product Description
Catalog Number:
AG01F7MB
Chemical Name:
methyl 1-(4-bromo-3-fluorobenzyl)azetidine-3-carboxylate
CAS Number:
950691-66-4
Molecular Formula:
C12H13BrFNO2
Molecular Weight:
302.1395
IUPAC Name:
methyl 1-[(4-bromo-3-fluorophenyl)methyl]azetidine-3-carboxylate
InChI:
InChI=1S/C12H13BrFNO2/c1-17-12(16)9-6-15(7-9)5-8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3
InChI Key:
NORYIKADRHSDGG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C1)Cc1ccc(c(c1)F)Br
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.143g/mol
Monoisotopic Mass:
301.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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