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108052-76-2 | 4-(Bromomethyl)-Benzoic Acid,1,1-Dimethylethyl Ester
CAS No: 108052-76-2 Catalog No: AG003K6L MDL No:MFCD04973450
Product Description
Catalog Number:
AG003K6L
Chemical Name:
4-(Bromomethyl)-Benzoic Acid,1,1-Dimethylethyl Ester
CAS Number:
108052-76-2
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
MDL Number:
MFCD04973450
IUPAC Name:
tert-butyl 4-(bromomethyl)benzoate
InChI:
InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
InChI Key:
GSIBTIUXYYFCPU-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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