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122882-99-9

122882-99-9 | Phthalazine, 6-(1-methylethyl)-

CAS No: 122882-99-9 Catalog No: AG000JOL MDL No:MFCD28661301

Product Description

Catalog Number:
AG000JOL
Chemical Name:
Phthalazine, 6-(1-methylethyl)-
CAS Number:
122882-99-9
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD28661301
IUPAC Name:
6-propan-2-ylphthalazine
InChI:
InChI=1S/C11H12N2/c1-8(2)9-3-4-10-6-12-13-7-11(10)5-9/h3-8H,1-2H3
InChI Key:
OVBJAABCEPSUNB-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cnnc2)C

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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