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904785-49-5

904785-49-5 | 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid

CAS No: 904785-49-5 Catalog No: AG01FOBY MDL No:

Product Description

Catalog Number:
AG01FOBY
Chemical Name:
4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid
CAS Number:
904785-49-5
IUPAC Name:
4-[(2-chlorophenyl)methylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C11H12ClNO3/c12-9-4-2-1-3-8(9)7-13-10(14)5-6-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChI Key:
NZLYKZUNHUYCRU-UHFFFAOYSA-N

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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