methyl (2S)-2-amino-2-(4-bromophenyl)acetate hydrochloride

methyl (2S)-2-amino-2-(4-bromophenyl)acetate hydrochloride

CAS: 1391528-74-7

Formula: C9H11BrClNO2

SMILES: Cl.COC(=O)[C@@H](N)C1=CC=C(Br)C=C1

IUPAC: methyl (2S)-2-amino-2-(4-bromophenyl)acetate hydrochloride

InChI: InChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1

Composition: C (38.53%), H (3.95%), Br (28.48%), Cl (12.64%), N (4.99%), O (11.41%)

Molar Mass: 280.55

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	278.966169
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CSBFDIDFULVKDP-QRPNPIFTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.75
Topological Polar Surface Area	52.32
Polarizability	20.98
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1391528-74-7		$146.28-$1,181.56$146.28$229.50$255.98$747.77$1,181.56