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251458-15-8 | Benzeneacetic acid, 3-bromo-α,α-dimethyl-, methyl ester
CAS No: 251458-15-8 Catalog No: AG002QM9 MDL No:MFCD13192201
Product Description
Catalog Number:
AG002QM9
Chemical Name:
Benzeneacetic acid, 3-bromo-α,α-dimethyl-, methyl ester
CAS Number:
251458-15-8
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD13192201
IUPAC Name:
methyl 2-(3-bromophenyl)-2-methylpropanoate
InChI:
InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChI Key:
ZTBCOZQPDZZCJO-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)Br)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/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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