1-(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine

1-(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine

CAS: 273399-95-4

Formula: C8H8ClN3

SMILES: NCC1=NC2=CC(Cl)=CC=C2N1

IUPAC: 1-(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine

InChI: InChI=1S/C8H8ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2,(H,11,12)

Composition: C (52.91%), H (4.44%), Cl (19.52%), N (23.14%)

Molar Mass: 181.62

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	181.040675
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WVBPEUGZSSDGPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.57
Topological Polar Surface Area	54.7
Polarizability	19.88
Ring Count	2
Rotatable Bond Count	1

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