4-[(4-bromophenyl)sulfanyl]-3-nitrobenzaldehyde

4-[(4-bromophenyl)sulfanyl]-3-nitrobenzaldehyde

CAS: 175278-49-6

Formula: C13H8BrNO3S

SMILES: [O-][N+](=O)C1=CC(C=O)=CC=C1SC1=CC=C(Br)C=C1

IUPAC: 4-[(4-bromophenyl)sulfanyl]-3-nitrobenzaldehyde

InChI: InChI=1S/C13H8BrNO3S/c14-10-2-4-11(5-3-10)19-13-6-1-9(8-16)7-12(13)15(17)18/h1-8H

Composition: C (46.17%), H (2.38%), Br (23.63%), N (4.14%), O (14.19%), S (9.48%)

Molar Mass: 338.18

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	336.940827
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NIKKSXPLNKTMPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.27
Topological Polar Surface Area	60.21
Polarizability	29.57
Ring Count	2
Rotatable Bond Count	4

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95%	<2 Days	175278-49-6		$51.35-$120.18$51.35$63.37$75.38$86.31$120.18

AA BLOCKS INC

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