3-Bromobenzotrifluoride

CAT: 0926-FB64582-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FB64582-01Size:25 g

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CAS Number

401-78-5

MDL Number

MFCD00000380

Smiles

C1=CC (=CC (=C1) Br) C (F) (F) F

Molecular Formula

C7H4BrF3

Molecular Weight

225.01 g/mol

Controlled

Chemical Information

Benzene, 1-bromo-3-(trifluoromethyl)-

CAS Number	401-78-5
PubChem CID	9817
IUPAC Name	1-bromo-3-(trifluoromethyl)benzene
Molecular Formula	C7H4BrF3
Molecular Weight	225.01
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

C1=CC(=CC(=C1)Br)C(F)(F)F

InChI

InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

InChIKey

NNMBNYHMJRJUBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 401-78-5

CID: 9817

Formula: C7H4BrF3

MW: 225.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.01
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	223.94485
Monoisotopic Mass	223.94485
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate
PID25565-01	3- (3,3,3-Trifluoropropyl) azetidine hydrochloride
VWB01274-01	3-[ (3,3,3-Trifluoropropyl) amino]propanenitrile
FB75602	1,3-Bis (3,3,3-trifluoropropyl) -1,1,3,3-tetramethyldisilazane

Catalog	Name
26403698-100g	3-Bromobenzotrifluoride
431238-01	4-Bromobenzotrifluoride
PC1330-01	2-Bromobenzotrifluoride
B18910-01	3-Bromobenzotrifluoride 99%
sc-231463	3-Amino-5-bromobenzotrifluoride
PC1044-01	3-Amino-4-bromobenzotrifluoride
424028-01	3-Benzyloxy-5-bromobenzotrifluoride
423681-01	3-Amino-2-bromobenzotrifluoride
PC2857-01	2-Amino-3-bromobenzotrifluoride
PC1045-01	4-Amino-3-bromobenzotrifluoride