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773798-35-9 | 5-Pyrimidinecarbonylchloride, 2-amino-4-methoxy-
CAS No: 773798-35-9 Catalog No: AG0053XU MDL No:
Product Description
Catalog Number:
AG0053XU
Chemical Name:
5-Pyrimidinecarbonylchloride, 2-amino-4-methoxy-
CAS Number:
773798-35-9
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
IUPAC Name:
2-amino-4-methoxypyrimidine-5-carbonyl chloride
InChI:
InChI=1S/C6H6ClN3O2/c1-12-5-3(4(7)11)2-9-6(8)10-5/h2H,1H3,(H2,8,9,10)
InChI Key:
XJZGAWUKXHAQNI-UHFFFAOYSA-N
SMILES:
COc1nc(N)ncc1C(=O)Cl
Properties
Complexity:
178
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.583g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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