methyl 3-amino-4-(4-methylbenzenesulfonyl)benzoate

methyl 3-amino-4-(4-methylbenzenesulfonyl)benzoate

CAS: 477850-15-0

Formula: C15H15NO4S

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

IUPAC: methyl 3-amino-4-(4-methylbenzenesulfonyl)benzoate

InChI: InChI=1S/C15H15NO4S/c1-10-3-6-12(7-4-10)21(18,19)14-8-5-11(9-13(14)16)15(17)20-2/h3-9H,16H2,1-2H3

Composition: C (59.00%), H (4.95%), N (4.59%), O (20.96%), S (10.50%)

Molar Mass: 305.35

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	305.072179141
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KVULRLBLSULCJC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.36
Topological Polar Surface Area	86.46
Polarizability	31.72
Ring Count	2
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477850-15-0		$51.35-$524.40$51.35$63.37$86.31$524.40