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3-amino-6-bromoindolizine-2-carbonitrile

3-amino-6-bromoindolizine-2-carbonitrile

CAS: 1284237-34-8

Formula: C9H6BrN3

SMILES: NC1=C(C=C2C=CC(Br)=CN12)C#N

IUPAC: 3-amino-6-bromoindolizine-2-carbonitrile

InChI: InChI=1S/C9H6BrN3/c10-7-1-2-8-3-6(4-11)9(12)13(8)5-7/h1-3,5H,12H2

Composition: C (45.79%), H (2.56%), Br (33.85%), N (17.80%)

Molar Mass: 236.072

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 234.97451
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SYBZQVXCFLRHKX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.44
Topological Polar Surface Area 54.22
Polarizability 20.59
Ring Count 2
Rotatable Bond Count 0

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