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17998-09-3 | Phthalazine, 1-[2-chloro-1-(chloromethyl)ethyl]-
CAS No: 17998-09-3 Catalog No: AG0021JX MDL No:
Product Description
Catalog Number:
AG0021JX
Chemical Name:
Phthalazine, 1-[2-chloro-1-(chloromethyl)ethyl]-
CAS Number:
17998-09-3
Molecular Formula:
C11H10Cl2N2
Molecular Weight:
241.1165
IUPAC Name:
1-(1,3-dichloropropan-2-yl)phthalazine
InChI:
InChI=1S/C11H10Cl2N2/c12-5-9(6-13)11-10-4-2-1-3-8(10)7-14-15-11/h1-4,7,9H,5-6H2
InChI Key:
OXULKMOOBKQMFO-UHFFFAOYSA-N
SMILES:
ClCC(c1nncc2c1cccc2)CCl
NSC Number:
114087
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.115g/mol
Monoisotopic Mass:
240.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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