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Also known as: 667403-46-5, 2-(2,5-dichlorobenzamido)acetic acid, 2-[(2,5-dichlorobenzoyl)amino]acetic acid, Qqh7jvd5tt, Ixazomib metabolite m12, Chembrdg-bb 7959525
Molecular Formula
C9H7Cl2NO3
Molecular Weight
248.06  g/mol
InChI Key
HKUAUZSWGMQPOK-UHFFFAOYSA-N
FDA UNII
QQH7JVD5TT

CAS 667403-46-5
1 2D Structure

CAS 667403-46-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(2,5-dichlorobenzoyl)amino]acetic acid
2.1.2 InChI
InChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
2.1.3 InChI Key
HKUAUZSWGMQPOK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Cl)C(=O)NCC(=O)O)Cl
2.2 Other Identifiers
2.2.1 UNII
QQH7JVD5TT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 667403-46-5

2. 2-(2,5-dichlorobenzamido)acetic Acid

3. 2-[(2,5-dichlorobenzoyl)amino]acetic Acid

4. Qqh7jvd5tt

5. Ixazomib Metabolite M12

6. Chembrdg-bb 7959525

7. Glycine, N-(2,5-dichlorobenzoyl)-

8. Mfcd03175234

9. Ml701201

10. N-[(2,5-dichlorophenyl)carbonyl]glycine

11. Unii-qqh7jvd5tt

12. Schembl8002583

13. Dtxsid60602726

14. Amy39521

15. Zinc6240436

16. 2-(2,5-dichlorobenzamido)aceticacid

17. Akos000158964

18. Ac-29977

19. As-10002

20. Sy059075

21. Db-120739

22. Cs-0151392

23. F16321

24. A856575

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 248.06 g/mol
Molecular Formula C9H7Cl2NO3
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass246.9802985 g/mol
Monoisotopic Mass246.9802985 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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