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7021-04-7 | 4-Bromo-DL-mandelic Acid , 99%
CAS No: 7021-04-7 Catalog No: AG003KZW MDL No:
Product Description
Catalog Number:
AG003KZW
Chemical Name:
4-Bromo-DL-mandelic Acid , 99%
CAS Number:
7021-04-7
IUPAC Name:
2-(4-bromophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChI Key:
BHZBRPQOYFDTAB-UHFFFAOYSA-N
EC Number:
230-085-1
NSC Number:
60138
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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