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53265-32-0 | Pyrazinamine, 3-chloro-N-(1-methylethyl)-
CAS No: 53265-32-0 Catalog No: AG01FLUZ MDL No:MFCD16079934
Product Description
Catalog Number:
AG01FLUZ
Chemical Name:
Pyrazinamine, 3-chloro-N-(1-methylethyl)-
CAS Number:
53265-32-0
Molecular Formula:
C7H10ClN3
Molecular Weight:
171.6274
MDL Number:
MFCD16079934
IUPAC Name:
3-chloro-N-propan-2-ylpyrazin-2-amine
InChI:
InChI=1S/C7H10ClN3/c1-5(2)11-7-6(8)9-3-4-10-7/h3-5H,1-2H3,(H,10,11)
InChI Key:
VHCWENVIQSXOQV-UHFFFAOYSA-N
SMILES:
CC(Nc1nccnc1Cl)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.628g/mol
Monoisotopic Mass:
171.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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