3,5-Dimethoxy-2-fluoroaniline

CAT: 0127-PC906804Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC906804Size:1 g

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CAS Number

651734-61-1

MDL Number

MFCD20696760

Purity

95%

Smiles

COc1cc(N)c(F)c(OC)c1

Chemical Information

2-Fluoro-3,5-dimethoxyaniline

CAS Number	651734-61-1
PubChem CID	15324515
IUPAC Name	2-fluoro-3,5-dimethoxyaniline
Molecular Formula	C8H10FNO2
Molecular Weight	171.17
XLogP	1.3
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

COC1=CC(=C(C(=C1)OC)F)N

InChI

InChI=1S/C8H10FNO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,10H2,1-2H3

InChIKey

ZHUWTVUANDGPRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 651734-61-1

CID: 15324515

Formula: C8H10FNO2

MW: 171.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.17
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	171.06955672
Monoisotopic Mass	171.06955672
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
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

Catalog	Name
PC7349-01	2,4-Dimethoxy-5-fluoroaniline
PC1004664-01	2,3-Dichloro-5-fluoroaniline
PC99840-01	3,5-Dichloro-2-fluoroaniline
PC99721-01	3-Bromo-5-chloro-2-fluoroaniline
PC303461-01	5-Bromo-3-chloro-2-fluoroaniline
PC99672-01	3-Bromo-2-chloro-5-fluoroaniline
PC56006	5-Bromo-2- (difluoromethoxy) -3-fluoroaniline
PC502026-01	3-Bromo-2- (difluoromethoxy) -5-fluoroaniline
PC110265-01	3- (Benzyloxy) -5-fluoroaniline
PC49421-01	3-Cyclopropyl-5-fluoroaniline

Catalog	Name
VHA13665	2,4-Dimethoxy-5-fluoroaniline
WMB71693-01	2- (3-Chlorophenoxy) -5-fluoroaniline
sc-305115	2- (3-Ethoxyphenoxy) -5-fluoroaniline
sc-305375	2- (3,5-Dimethylphenoxy) -5-fluoroaniline
sc-304926	2- (2,3-Dimethylphenoxy) -5-fluoroaniline
TRC-D474755-2.5G	3-(2,6-dimethylmorpholino)-5-fluoroaniline
sc-496649	3- (2,6-dimethylmorpholino) -5-fluoroaniline
sc-314240	4- (2,5-Dimethylphenoxy) -3-fluoroaniline
PRB86908-01	4- (2,5-Dichlorophenoxy) -3-fluoroaniline
sc-305283	2- (3,4-Difluorophenoxy) -5-fluoroaniline