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1260750-63-7

1260750-63-7 | Benzoic acid, 4-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester

CAS No: 1260750-63-7 Catalog No: AG000R3Z MDL No:

Product Description

Catalog Number:
AG000R3Z
Chemical Name:
Benzoic acid, 4-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1260750-63-7
Molecular Formula:
C12H14BrFO2
Molecular Weight:
289.1408
IUPAC Name:
tert-butyl 4-(bromomethyl)-3-fluorobenzoate
InChI:
InChI=1S/C12H14BrFO2/c1-12(2,3)16-11(15)8-4-5-9(7-13)10(14)6-8/h4-6H,7H2,1-3H3
InChI Key:
WLAZLUMSJGSPRF-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1F)C(=O)OC(C)(C)C

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.144g/mol
Monoisotopic Mass:
288.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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