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1159825-92-9 | 2-(6-Chloropyrimidin-4-ylamino)acetic acid
CAS No: 1159825-92-9 Catalog No: AG01FB5K MDL No:
Product Description
Catalog Number:
AG01FB5K
Chemical Name:
2-(6-Chloropyrimidin-4-ylamino)acetic acid
CAS Number:
1159825-92-9
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
IUPAC Name:
2-[(6-chloropyrimidin-4-yl)amino]acetic acid
InChI:
InChI=1S/C6H6ClN3O2/c7-4-1-5(10-3-9-4)8-2-6(11)12/h1,3H,2H2,(H,11,12)(H,8,9,10)
InChI Key:
IJDXWEBLTQFOSD-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1cc(Cl)ncn1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.583g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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