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76780-96-6 | 2,4-Dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CAS No: 76780-96-6 Catalog No: AG005IBY MDL No:MFCD19443839
Product Description
Catalog Number:
AG005IBY
Chemical Name:
2,4-Dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CAS Number:
76780-96-6
Molecular Formula:
C9H10Cl2N2
Molecular Weight:
217.0951
MDL Number:
MFCD19443839
IUPAC Name:
2,4-dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
InChI:
InChI=1S/C9H10Cl2N2/c10-8-6-4-2-1-3-5-7(6)12-9(11)13-8/h1-5H2
InChI Key:
WJMGVBPDXSHYBU-UHFFFAOYSA-N
SMILES:
Clc1nc2CCCCCc2c(n1)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.093g/mol
Monoisotopic Mass:
216.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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