1-(bromomethyl)-4-methanesulfonyl-2-nitrobenzene

1-(bromomethyl)-4-methanesulfonyl-2-nitrobenzene

CAS: 849035-67-2

Formula: C8H8BrNO4S

SMILES: CS(=O)(=O)C1=CC=C(CBr)C(=C1)[N+]([O-])=O

IUPAC: 1-(bromomethyl)-4-methanesulfonyl-2-nitrobenzene

InChI: InChI=1S/C8H8BrNO4S/c1-15(13,14)7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,5H2,1H3

Composition: C (32.67%), H (2.74%), Br (27.17%), N (4.76%), O (21.76%), S (10.90%)

Molar Mass: 294.12

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.935742
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZXOQKCSPENGHOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.23
Topological Polar Surface Area	77.28
Polarizability	23.03
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	849035-67-2		$168.71-$351.90$168.71$351.90