3-amino-3-(4-chloro-3-methylphenyl)propanoic acid

3-amino-3-(4-chloro-3-methylphenyl)propanoic acid

CAS: 887594-50-5

Formula: C10H12ClNO2

SMILES: CC1=C(Cl)C=CC(=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-(4-chloro-3-methylphenyl)propanoic acid

InChI: InChI=1/C10H12ClNO2/c1-6-4-7(2-3-8(6)11)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	213.0556563
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PGVQYUDBNHECEK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.83
Topological Polar Surface Area	63.32
Polarizability	21.54
Ring Count	1
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887594-50-5		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00