1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)propan-1-one

Formula: C16H13NO5

SMILES: [O-][N+](=O)C1=CC=CC(CCC(=O)C2=CC3=C(OCO3)C=C2)=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)propan-1-one

InChI: InChI=1S/C16H13NO5/c18-14(12-5-7-15-16(9-12)22-10-21-15)6-4-11-2-1-3-13(8-11)17(19)20/h1-3,5,7-9H,4,6,10H2

Composition: C (64.21%), H (4.38%), N (4.68%), O (26.73%)

Molar Mass: 299.282

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.079372523
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ICAOXWZFPACZJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.87
Topological Polar Surface Area	78.67
Polarizability	29.86
Ring Count	3
Rotatable Bond Count	5

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C16H13NO5		$1,301.00-$2,420.00$1,301.00$2,420.00