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2972-52-3 | 5-Pyrimidinecarbonyl chloride, 2,4-dichloro-
CAS No: 2972-52-3 Catalog No: AG002Z7T MDL No:MFCD09742432
Product Description
Catalog Number:
AG002Z7T
Chemical Name:
5-Pyrimidinecarbonyl chloride, 2,4-dichloro-
CAS Number:
2972-52-3
Molecular Formula:
C5HCl3N2O
Molecular Weight:
211.4332
MDL Number:
MFCD09742432
IUPAC Name:
2,4-dichloropyrimidine-5-carbonyl chloride
InChI:
InChI=1S/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H
InChI Key:
DZTIFMWYYHCREC-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)Cl)C(=O)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.915g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.426g/mol
Monoisotopic Mass:
209.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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