bis(4-methyl-3-nitrophenyl)methanone

bis(4-methyl-3-nitrophenyl)methanone

CAS: 19910-92-0

Formula: C15H12N2O5

SMILES: CC1=CC=C(C=C1[N+]([O-])=O)C(=O)C1=CC=C(C)C(=C1)[N+]([O-])=O

IUPAC: bis(4-methyl-3-nitrophenyl)methanone

InChI: InChI=1S/C15H12N2O5/c1-9-3-5-11(7-13(9)16(19)20)15(18)12-6-4-10(2)14(8-12)17(21)22/h3-8H,1-2H3

Composition: C (60.00%), H (4.03%), N (9.33%), O (26.64%)

Molar Mass: 300.27

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.074621494
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IRIXNJMNGNFXGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.36
Topological Polar Surface Area	103.35
Polarizability	29.29
Ring Count	2
Rotatable Bond Count	4

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