3-amino-3-[5-(4-bromophenyl)furan-2-yl]propanamide

3-amino-3-[5-(4-bromophenyl)furan-2-yl]propanamide

CAS: 771522-77-1

Formula: C13H13BrN2O2

SMILES: NC(CC(N)=O)C1=CC=C(O1)C1=CC=C(Br)C=C1

IUPAC: 3-amino-3-[5-(4-bromophenyl)furan-2-yl]propanamide

InChI: InChI=1/C13H13BrN2O2/c14-9-3-1-8(2-4-9)11-5-6-12(18-11)10(15)7-13(16)17/h1-6,10H,7,15H2,(H2,16,17)

Composition: C (50.51%), H (4.24%), Br (25.85%), N (9.06%), O (10.35%)

Molar Mass: 309.163

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	308.016041
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HGHNADQEUHLCGS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.84
Topological Polar Surface Area	82.25
Polarizability	29.12
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	771522-77-1		$3,300.00-$5,460.00$3,300.00$4,400.00$5,460.00