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4-bromo-N-(4-chloropyridin-2-yl)benzamide

4-bromo-N-(4-chloropyridin-2-yl)benzamide

CAS: 901324-52-5

Formula: C12H8BrClN2O

SMILES: ClC1=CC(NC(=O)C2=CC=C(Br)C=C2)=NC=C1

IUPAC: 4-bromo-N-(4-chloropyridin-2-yl)benzamide

InChI: InChI=1S/C12H8BrClN2O/c13-9-3-1-8(2-4-9)12(17)16-11-7-10(14)5-6-15-11/h1-7H,(H,15,16,17)

Composition: C (46.26%), H (2.59%), Br (25.65%), Cl (11.38%), N (8.99%), O (5.14%)

Molar Mass: 311.56

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 309.950854
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OYHAURRCGMQSEK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.18
Topological Polar Surface Area 41.99
Polarizability 26.77
Ring Count 2
Rotatable Bond Count 2

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