3-amino-3-(4-bromothiophen-2-yl)propanoic acid

3-amino-3-(4-bromothiophen-2-yl)propanoic acid

CAS: 194229-25-9

Formula: C7H8BrNO2S

SMILES: NC(CC(O)=O)C1=CC(Br)=CS1

IUPAC: 3-amino-3-(4-bromothiophen-2-yl)propanoic acid

InChI: InChI=1/C7H8BrNO2S/c8-4-1-6(12-3-4)5(9)2-7(10)11/h1,3,5H,2,9H2,(H,10,11)

Composition: C (33.62%), H (3.22%), Br (31.95%), N (5.60%), O (12.79%), S (12.82%)

Molar Mass: 250.11

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	248.945913
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NOOFILCZCFLGBV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.5
Topological Polar Surface Area	63.32
Polarizability	19.59
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	194229-25-9		$2,200.00-$3,740.00$2,200.00$3,740.00