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20401-33-6 | 5-Pyrimidineacetic acid, 2,4,6-trichloro-
CAS No: 20401-33-6 Catalog No: AG0029A6 MDL No:
Product Description
Catalog Number:
AG0029A6
Chemical Name:
5-Pyrimidineacetic acid, 2,4,6-trichloro-
CAS Number:
20401-33-6
Molecular Formula:
C6H3Cl3N2O2
Molecular Weight:
241.4592
IUPAC Name:
2-(2,4,6-trichloropyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C6H3Cl3N2O2/c7-4-2(1-3(12)13)5(8)11-6(9)10-4/h1H2,(H,12,13)
InChI Key:
JLBBIHWKLIVGRP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Cl)nc(nc1Cl)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.452g/mol
Monoisotopic Mass:
239.926g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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