(2S)-2-amino-3-(3-bromo-2-methylphenyl)propanoic acid

(2S)-2-amino-3-(3-bromo-2-methylphenyl)propanoic acid

CAS: 1270098-48-0

Formula: C10H12BrNO2

SMILES: CC1=C(Br)C=CC=C1C[C@H](N)C(O)=O

IUPAC: (2S)-2-amino-3-(3-bromo-2-methylphenyl)propanoic acid

InChI: InChI=1S/C10H12BrNO2/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1

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	3
Hydrogen Bond Donor Count	2
InChIKey	MDEANSZEMWDYLR-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.78
Topological Polar Surface Area	63.32
Polarizability	22.49
Ring Count	1
Rotatable Bond Count	3

Suppliers

Acrotein ChemBio Inc.,

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1270098-48-0		$240.96-$551.04$240.96$361.92$551.04