2,4-Difluorobenzylamine

CAT: 1596-AR-D05987-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D05987-01Size:50 Units

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CAS Number

72235-52-0

Synonyms

2,4-Difluorobenzenemethanamine; (2,4-Difluorophenyl) methanamine; 1- (2,4-Difluorophenyl) methanamine; [ (2,4-Difluorophenyl) methyl]amine

Molecular Formula

C7H7F2N

Molecular Weight

143.13

API Name

Dolutegravir

Chemical Information

2,4-Difluorobenzylamine

CAS Number	72235-52-0
PubChem CID	2733244
IUPAC Name	(2,4-difluorophenyl)methanamine
Molecular Formula	C7H7F2N
Molecular Weight	143.13
XLogP	1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

C1=CC(=C(C=C1F)F)CN

InChI

InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

InChIKey

QDZZDVQGBKTLHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72235-52-0

CID: 2733244

Formula: C7H7F2N

MW: 143.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.13
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.05465555
Monoisotopic Mass	143.05465555
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
AR-D07190-01	2,2',4,4'-Tetrahydroxybenzophenone
AR-A05563-01	2,4,4,4-Tetrachlorobutanenitrile
AR-D07191-01	2,2',4,4'-Tetrahydroxybenzophenone-d4
AR-H01200-01	4,4'- (4-methylpent-2-ene-2,4-diyl) diphenol
AR-B02335-01	2,4-DB (4- (2,4-Dichlorophenoxy) butyric acid)
AR-D07219-01	2,2',3,4,4'-Pentabromodiphenyl Ether
AR-C02627-01	Lithocholic-2,2,4,4-d4 Acid
AR-C02381-01	Chenodeoxycholic-2,2,4,4-d4 Acid

Catalog	Name
sc-230964	2,4-Difluorobenzylamine
sc-231996	3,4-Difluorobenzylamine
PC302793	2-Chloro-4,5-difluorobenzylamine
PC302828-01	3-Chloro-2,4-difluorobenzylamine
PC500751	4-Bromo-2,3-difluorobenzylamine
sc-299444	4-Chloro-2,6-difluorobenzylamine
PC303359-01	5-Chloro-2,4-difluorobenzylamine
PC302782	4-Ethoxy-2,3-difluorobenzylamine
PC302783-01	4-Ethoxy-2,6-difluorobenzylamine
PC302775-01	3-Ethoxy-2,4-difluorobenzylamine