methyl 3-amino-3-(4-bromophenyl)propanoate

methyl 3-amino-3-(4-bromophenyl)propanoate

CAS: 453557-71-6

Formula: C10H12BrNO2

SMILES: COC(=O)CC(N)C1=CC=C(Br)C=C1

IUPAC: methyl 3-amino-3-(4-bromophenyl)propanoate

InChI: InChI=1/C10H12BrNO2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3

Composition: C (46.53%), H (4.69%), Br (30.96%), N (5.43%), O (12.40%)

Molar Mass: 258.115

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	257.005142
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PNQOPUGACIDGKL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.38
Topological Polar Surface Area	52.32
Polarizability	22.79
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	453557-71-6		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43