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1-(4,5-dichloropyrimidin-2-yl)methanamine

1-(4,5-dichloropyrimidin-2-yl)methanamine

CAS: 1240595-58-7

Formula: C5H5Cl2N3

SMILES: NCC1=NC=C(Cl)C(Cl)=N1

IUPAC: 1-(4,5-dichloropyrimidin-2-yl)methanamine

InChI: InChI=1S/C5H5Cl2N3/c6-3-2-9-4(1-8)10-5(3)7/h2H,1,8H2

Composition: C (33.74%), H (2.83%), Cl (39.83%), N (23.61%)

Molar Mass: 178.02

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 176.9860526
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FWNWIAJBABEEMI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.38
Topological Polar Surface Area 51.8
Polarizability 15.87
Ring Count 1
Rotatable Bond Count 1

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