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3,5-Difluoro-3'-methoxy-[1,1'-biphenyl]-4-amine

HCID 53375439
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Basic information

CAS
867288-00-4
Standard SMILES
COc1cccc(-c2cc(F)c(N)c(F)c2)c1
InChIKey
BFAMMODYWZEGDM-UHFFFAOYSA-N
Molecular formula
C13H11F2NO
Average molar mass
235.23 g/mol
Monoisotopic mass
235.0808703

Names & identifiers

Preferred name
3,5-Difluoro-3'-methoxy-[1,1'-biphenyl]-4-amine
IUPAC
2,6-difluoro-4-(3-methoxyphenyl)aniline
English name
3,5-DIFLUORO-3-METHOXY-[1,1-BIPHENYL]-4-AMINE
Molecular formula
C13H11F2NO
Molecular weight
235.23

Names & synonyms

3,5-Difluoro-3'-methoxy-[1,1'-biphenyl]-4-amine867288-00-42,6-difluoro-4-(3-methoxyphenyl)anilineMFCD14585527SCHEMBL1335522BFAMMODYWZEGDM-UHFFFAOYSA-NDTXSID701249052AKOS0273359533,5-difluoro-3'-methoxybiphenyl-4-amineBS-18192SY2708053,5-Difluoro-3'-methoxy-biphenyl-4-amine
Show more names
3,5-DIFLUORO-3-METHOXY-[1,1-BIPHENYL]-4-AMINE[1,1'-Biphenyl]-4-amine, 3,5-difluoro-3'-methoxy-
CS-0129886F50931F6080113,5-Difluoro-3'-methoxy[1,1'-biphenyl]-4-amineA1-213523,5-Difluoro-3a(2)-methoxy[1,1a(2)-biphenyl]-4-amine4-Amino-3,5-difluoro-3 inverted exclamation mark -methoxybiphenyl

Database identifiers

CAS
867288-00-4
PubChem CID
53375439
DTXSID
DTXSID701249052

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
240

Physicochemical properties

storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Related reactions

3 records
New reaction record
HRID 1134812 reaction equation
HRID 1134812As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1909350 reaction equation
HRID 1909350As reactantuspto-grants-2013_12
HRID 2360400 reaction equation
HRID 2360400As productuspto-grants-2014_04

Compound notes

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