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72998-94-8 | Glycine, N-(carboxymethyl)-N-[(5-chloro-1H-benzimidazol-2-yl)methyl]-
CAS No: 72998-94-8 Catalog No: AG005CYP MDL No:
Product Description
Catalog Number:
AG005CYP
Chemical Name:
Glycine, N-(carboxymethyl)-N-[(5-chloro-1H-benzimidazol-2-yl)methyl]-
CAS Number:
72998-94-8
Molecular Formula:
C12H12ClN3O4
Molecular Weight:
297.6944
IUPAC Name:
2-[carboxymethyl-[(6-chloro-1H-benzimidazol-2-yl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H12ClN3O4/c13-7-1-2-8-9(3-7)15-10(14-8)4-16(5-11(17)18)6-12(19)20/h1-3H,4-6H2,(H,14,15)(H,17,18)(H,19,20)
InChI Key:
BPVLTDMDVWZWPE-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1nc2c([nH]1)ccc(c2)Cl)CC(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.695g/mol
Monoisotopic Mass:
297.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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