methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate

methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate

CAS: 214470-59-4

Formula: C12H16ClNO4

SMILES: COC(=O)C1=CC(OC)=C(OCCCCl)C=C1N

IUPAC: methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate

InChI: InChI=1S/C12H16ClNO4/c1-16-10-6-8(12(15)17-2)9(14)7-11(10)18-5-3-4-13/h6-7H,3-5,14H2,1-2H3

Composition: C (52.66%), H (5.89%), Cl (12.95%), N (5.12%), O (23.38%)

Molar Mass: 273.71

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.0767857
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MWAMTEYWDWYKQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.92
Topological Polar Surface Area	70.78
Polarizability	26.51
Ring Count	1
Rotatable Bond Count	7

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	214470-59-4		$589.95$589.95