1- (4-Bromophenyl) -1H-pyrazole

CAT: 0024-sc-287015ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-287015ASize:5 g

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CAS Number

13788-92-6

Chemical Information

1-(4-bromophenyl)-1H-pyrazole

CAS Number	13788-92-6
PubChem CID	10443564
IUPAC Name	1-(4-bromophenyl)pyrazole
Molecular Formula	C9H7BrN2
Molecular Weight	223.07
XLogP	2.9
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	143

SMILES

C1=CN(N=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H

InChIKey

SQCVGDMTHFQUKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13788-92-6

CID: 10443564

Formula: C9H7BrN2

MW: 223.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.07
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	221.97926
Monoisotopic Mass	221.97926
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
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
sc-231317	3- (4-Bromophenyl) -1H-pyrazole
sc-260437A	3- (4-Bromophenyl) -1-methyl-1H-pyrazole
sc-260437	3- (4-Bromophenyl) -1-methyl-1H-pyrazole
sc-264523	1- (2-Bromophenyl) -1H-pyrazole
sc-351878	1- (3-Bromophenyl) -1H-pyrazole
sc-309781	3- (4-Bromophenyl) -1H-pyrazole-4-carbaldehyde
sc-261712	4-Bromo-1-[ (2-bromophenyl) sulphonyl]-1H-pyrazole
sc-261712A	4-Bromo-1-[ (2-bromophenyl) sulphonyl]-1H-pyrazole
sc-258453A	1- (4-Bromophenyl) -3,5-dimethyl-1H-pyrazole
sc-472156	1- (4-Bromophenyl) -5- (trifluoromethyl) -1H-pyrazole-4-carbohydrazide

Catalog	Name
OR1011-01	4- (4-Bromophenyl) -1H-pyrazole
OR0211-01	4- (3-Bromophenyl) -1H-pyrazole
OR8582-01	1- (4-Bromophenyl) -1H-pyrazole
OR1007323-01	4- (2-Bromophenyl) -1h-pyrazole
OR21-01	3- (4-Bromophenyl) -1H-pyrazole
abx180019-01	1-(4-Bromophenyl)-1H-pyrazole
JWB82663-01	1-[ (4-Bromophenyl) methyl]-1H-pyrazole
ULA87741	1- (4-Bromophenyl) -1H-pyrazole-4-carboxaldehyde
OR86394-01	1- (4-bromophenyl) -4-methyl-1h-pyraZole
RXB61645-01	4- (4-bromophenyl) -1-methyl-1H-pyrazole