2-methyl-6-nitrobenzaldehyde

2-methyl-6-nitrobenzaldehyde

CAS: 107096-52-6

Formula: C8H7NO3

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

IUPAC: 2-methyl-6-nitrobenzaldehyde

InChI: InChI=1S/C8H7NO3/c1-6-3-2-4-8(9(11)12)7(6)5-10/h2-5H,1H3

Composition: C (58.18%), H (4.27%), N (8.48%), O (29.06%)

Molar Mass: 165.148

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.042593089
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LBHWNZFYCKTRFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44
Topological Polar Surface Area	60.21
Polarizability	15.9
Ring Count	1
Rotatable Bond Count	2

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