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Home > Bromides > 1385694-70-1
1385694-70-1 | Benzeneacetic acid, 4-bromo-α-(2-methyl-1-oxopropoxy)-
CAS No: 1385694-70-1 Catalog No: AG0018RF MDL No:MFCD22375693
Product Description
Catalog Number:
AG0018RF
Chemical Name:
Benzeneacetic acid, 4-bromo-α-(2-methyl-1-oxopropoxy)-
CAS Number:
1385694-70-1
Molecular Formula:
C12H13BrO4
Molecular Weight:
301.1332
MDL Number:
MFCD22375693
IUPAC Name:
2-(4-bromophenyl)-2-(2-methylpropanoyloxy)acetic acid
InChI:
InChI=1S/C12H13BrO4/c1-7(2)12(16)17-10(11(14)15)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,14,15)
InChI Key:
RWHIJSKRSRZFNL-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC(c1ccc(cc1)Br)C(=O)O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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