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69507-30-8 | 5-Bromo-2-hydroxyhippuric acid
CAS No: 69507-30-8 Catalog No: AG003MHB MDL No:
Product Description
Catalog Number:
AG003MHB
Chemical Name:
5-Bromo-2-hydroxyhippuric acid
CAS Number:
69507-30-8
IUPAC Name:
2-[(5-bromo-2-hydroxybenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H8BrNO4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4H2,(H,11,15)(H,13,14)
InChI Key:
MLEJEEMJARTMHI-UHFFFAOYSA-N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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