5-Fluoro-2-nitroanisole

CAT: 1266-JH302625Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

448-19-1

Chemical Information

5-Fluoro-2-nitroanisole

CAS Number	448-19-1
PubChem CID	2779250
IUPAC Name	4-fluoro-2-methoxy-1-nitrobenzene
Molecular Formula	C7H6FNO3
Molecular Weight	171.13
XLogP	1.7
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	171

SMILES

COC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C7H6FNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3

InChIKey

WLKUSVNHZXUEFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 448-19-1

CID: 2779250

Formula: C7H6FNO3

MW: 171.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.13
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	171.03317122
Monoisotopic Mass	171.03317122
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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