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18815-75-3 | Glycine, N-(4-bromobenzoyl)-
CAS No: 18815-75-3 Catalog No: AG002GR5 MDL No:MFCD00466775
Product Description
Catalog Number:
AG002GR5
Chemical Name:
Glycine, N-(4-bromobenzoyl)-
CAS Number:
18815-75-3
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD00466775
IUPAC Name:
2-[(4-bromobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H8BrNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChI Key:
PTMXKRQZWGCWGZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)NCC(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). | Bioorganic & medicinal chemistry 20081201 |
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