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114108-86-0 | Pyrimidine, 2-(chloromethyl)-4,6-dimethoxy-
CAS No: 114108-86-0 Catalog No: AG000ALW MDL No:MFCD00274539
Product Description
Catalog Number:
AG000ALW
Chemical Name:
Pyrimidine, 2-(chloromethyl)-4,6-dimethoxy-
CAS Number:
114108-86-0
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD00274539
IUPAC Name:
2-(chloromethyl)-4,6-dimethoxypyrimidine
InChI:
InChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3
InChI Key:
BWCCPOQIMGGGQX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)CCl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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