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4-chloro-5H,6H,7H,8H,9H-pyrimido[4,5-b]indole

4-chloro-5H,6H,7H,8H,9H-pyrimido[4,5-b]indole

CAS: 173458-87-2

Formula: C10H10ClN3

SMILES: ClC1=C2C3=C(CCCC3)NC2=NC=N1

IUPAC: 4-chloro-5H,6H,7H,8H,9H-pyrimido[4,5-b]indole

InChI: InChI=1S/C10H10ClN3/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H,12,13,14)

Composition: C (57.84%), H (4.85%), Cl (17.07%), N (20.24%)

Molar Mass: 207.66

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 207.056325
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SFKNMBDVWLKVID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.14
Topological Polar Surface Area 41.57
Polarizability 21.51
Ring Count 3
Rotatable Bond Count 0

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