2,4-Dimethoxy-5-fluoroaniline

CAT: 0926-VHA13665Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-VHA13665Size:5 g

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CAS Number

195136-65-3

MDL Number

MFCD12547861

Smiles

COC1=CC (=C (C=C1N) F) OC

Molecular Formula

C8H10FNO2

Molecular Weight

171.17 g/mol

Controlled

Chemical Information

2,4-Dimethoxy-5-fluoroaniline

CAS Number	195136-65-3
PubChem CID	10749694
IUPAC Name	5-fluoro-2,4-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=C1N)F)OC

InChI

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

InChIKey

QOIDQMOZTRAYET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 195136-65-3

CID: 10749694

Formula: C8H10FNO2

MW: 171.17

Interactive 3D Structure

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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
AQB57263-01	4-Bromo-2-chloro-5-fluoroaniline
VEA69411-01	2-Bromo-4-chloro-5-fluoroaniline
LEA01007	5-Bromo-4-chloro-2-fluoroaniline
PRB86908-01	4- (2,5-Dichlorophenoxy) -3-fluoroaniline
CPC11220-01	4-Bromo-2-ethoxy-5-fluoroaniline
REA36924	4-Bromo-5-chloro-2-fluoroaniline
FMA79589	5-bromo-2-chloro-4-fluoroaniline
FD67524-01	2,4-Dimethoxy-5-methylbenzaldehyde
FD22189-01	2,5-Dimethoxy-4-methylbenzaldehyde
FD171569-01	2,5-Dimethoxy-4-propylphenethylamine

Catalog	Name
PC7349-01	2,4-Dimethoxy-5-fluoroaniline
PC906804	3,5-Dimethoxy-2-fluoroaniline
sc-322056	2,4-Dibromo-5-fluoroaniline
PC903755-01	2,5-Dibromo-4-fluoroaniline
sc-311646	2- (4-Ethylphenoxy) -5-fluoroaniline
sc-311623	2- (4-Ethoxyphenoxy) -5-fluoroaniline
sc-305428	2- (4-Benzylphenoxy) -5-fluoroaniline
sc-311578	2- (4-Chlorophenoxy) -5-fluoroaniline
PC3020-01	2,4-Dinitro-5-fluoroaniline
PC303284-01	4,5-Dichloro-2-fluoroaniline