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31737-09-4 | 6-CHLORO-1-METHYLURACIL
CAS No: 31737-09-4 Catalog No: AG003N59 MDL No:MFCD09753498
Product Description
Catalog Number:
AG003N59
Chemical Name:
6-CHLORO-1-METHYLURACIL
CAS Number:
31737-09-4
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD09753498
IUPAC Name:
6-chloro-1-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C5H5ClN2O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChI Key:
AOSGEKKSRYJBGW-UHFFFAOYSA-N
SMILES:
Cn1c(Cl)cc(=O)[nH]c1=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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