methyl 4-(difluoromethoxy)-3-nitrobenzoate

methyl 4-(difluoromethoxy)-3-nitrobenzoate

CAS: 1154278-25-7

Formula: C9H7F2NO5

SMILES: COC(=O)C1=CC=C(OC(F)F)C(=C1)[N+]([O-])=O

IUPAC: methyl 4-(difluoromethoxy)-3-nitrobenzoate

InChI: InChI=1S/C9H7F2NO5/c1-16-8(13)5-2-3-7(17-9(10)11)6(4-5)12(14)15/h2-4,9H,1H3

Composition: C (43.74%), H (2.85%), F (15.37%), N (5.67%), O (32.37%)

Molar Mass: 247.154

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.029228655
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AHAKPCUKFZCCBV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.88
Topological Polar Surface Area	78.67
Polarizability	19.03
Ring Count	1
Rotatable Bond Count	5

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