5-Bromo-2-hydroxybenzonitrile

CAT: 0024-sc-233269Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-233269Size:1 g

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CAS Number

40530-18-5

Chemical Information

5-Bromo-2-hydroxybenzonitrile

CAS Number	40530-18-5
PubChem CID	2757014
IUPAC Name	5-bromo-2-hydroxybenzonitrile
Molecular Formula	C7H4BrNO
Molecular Weight	198.02
XLogP	2.8
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	162

SMILES

C1=CC(=C(C=C1Br)C#N)O

InChI

InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

InChIKey

PVCONXMDUZOPJH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40530-18-5

CID: 2757014

Formula: C7H4BrNO

MW: 198.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.02
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	196.94763
Monoisotopic Mass	196.94763
Topological Polar Surface Area	44 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162
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-504098	2-Bromo-5-hydroxybenzonitrile
sc-274398	2-Bromo-5-ethoxy-4-hydroxybenzonitrile
sc-506636	3-Bromo-5-chloro-2-hydroxybenzonitrile
sc-225960	3-Bromo-2-hydroxybenzonitrile
sc-261761	4-Bromo-2-hydroxybenzonitrile
sc-261761A	4-Bromo-2-hydroxybenzonitrile
sc-266514	3-Bromo-5-ethoxy-4-hydroxybenzonitrile
sc-278139	5-Chloro-2-hydroxybenzonitrile
sc-231515	3-Bromo-4-hydroxybenzonitrile
sc-322766	3,5-Dibromo-2-hydroxybenzonitrile

Catalog	Name
FB70711-01	2-Bromo-5-hydroxybenzonitrile
435422-01	5-Bromo-2-hydroxybenzonitrile
B21560-01	5-Bromo-2-hydroxybenzonitrile 98%
VFB71892-01	3-bromo-5-hydroxybenzonitrile
PC1001336	5-Bromo-3-fluoro-2-hydroxybenzonitrile
PC500434-01	5-Bromo-2-fluoro-4-hydroxybenzonitrile
PC101415-01	3-Bromo-5-fluoro-2-hydroxybenzonitrile
OR1049409-01	5-Bromo-2-chloro-4-hydroxybenzonitrile
OR54658	3-Bromo-5-chloro-2-hydroxybenzonitrile
PC1003716-01	5-Bromo-4-fluoro-2-hydroxybenzonitrile