3-bromo-2,4-dimethyl-5-[(4-nitrophenyl)methyl]-1H-pyrrole

3-bromo-2,4-dimethyl-5-[(4-nitrophenyl)methyl]-1H-pyrrole

CAS: 937602-06-7

Formula: C13H13BrN2O2

SMILES: CC1=C(Br)C(C)=C(CC2=CC=C(C=C2)[N+]([O-])=O)N1

IUPAC: 3-bromo-2,4-dimethyl-5-[(4-nitrophenyl)methyl]-1H-pyrrole

InChI: InChI=1S/C13H13BrN2O2/c1-8-12(15-9(2)13(8)14)7-10-3-5-11(6-4-10)16(17)18/h3-6,15H,7H2,1-2H3

Composition: C (50.51%), H (4.24%), Br (25.85%), N (9.06%), O (10.35%)

Molar Mass: 309.163

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	308.016041
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JNHMITDNTDKYBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.72
Topological Polar Surface Area	58.93
Polarizability	27.6
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	937602-06-7		$39.00$39.00