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75438-78-7 | 4,6-Dichloro-2-cyclopropyl-5-nitropyrimidine
CAS No: 75438-78-7 Catalog No: AG003A6S MDL No:MFCD22199669
Product Description
Catalog Number:
AG003A6S
Chemical Name:
4,6-Dichloro-2-cyclopropyl-5-nitropyrimidine
CAS Number:
75438-78-7
Molecular Formula:
C7H5Cl2N3O2
Molecular Weight:
234.0395
MDL Number:
MFCD22199669
IUPAC Name:
4,6-dichloro-2-cyclopropyl-5-nitropyrimidine
InChI:
InChI=1S/C7H5Cl2N3O2/c8-5-4(12(13)14)6(9)11-7(10-5)3-1-2-3/h3H,1-2H2
InChI Key:
XCAAKLMJGXTCMA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)nc(nc1Cl)C1CC1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.036g/mol
Monoisotopic Mass:
232.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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