3-Bromo-4-hydroxybenzonitrile

CAT: 0024-sc-231515Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-231515Size:5 g

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CAS Number

2315-86-8

Chemical Information

3-Bromo-4-hydroxybenzonitrile

CAS Number	2315-86-8
PubChem CID	75341
IUPAC Name	3-bromo-4-hydroxybenzonitrile
Molecular Formula	C7H4BrNO
Molecular Weight	198.02
XLogP	2.2
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=C1C#N)Br)O

InChI

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

InChIKey

HLHNOIAOWQFNGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2315-86-8

CID: 75341

Formula: C7H4BrNO

MW: 198.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.02
XLogP3	2.2
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-261761	4-Bromo-2-hydroxybenzonitrile
sc-261761A	4-Bromo-2-hydroxybenzonitrile
sc-266514	3-Bromo-5-ethoxy-4-hydroxybenzonitrile
sc-225960	3-Bromo-2-hydroxybenzonitrile
sc-274398	2-Bromo-5-ethoxy-4-hydroxybenzonitrile
sc-276140	3-Chloro-4-hydroxybenzonitrile
sc-276219	3-ethoxy-4-hydroxybenzonitrile
sc-261943	4-Fluoro-3-hydroxybenzonitrile
sc-261943A	4-Fluoro-3-hydroxybenzonitrile
sc-280366	3-Fluoro-4-hydroxybenzonitrile

Catalog	Name
RLB21360-01	4-Bromo-3-hydroxybenzonitrile
FB70528	3-Bromo-4-hydroxybenzonitrile
430790-01	4-Bromo-2-hydroxybenzonitrile
OR908076-01	2-Bromo-4-hydroxybenzonitrile
PC1013189	2-Bromo-4-fluoro-3-hydroxybenzonitrile
OR1027860-01	3-Bromo-5-Ethoxy-4-Hydroxybenzonitrile
OR1097155	3-Bromo-5-chloro-4-hydroxybenzonitrile
PC49010-01	3-Bromo-4-fluoro-2-hydroxybenzonitrile
PC400007	4-Bromo-3-fluoro-2-hydroxybenzonitrile
PC1023380-01	3-bromo-5-fluoro-4-hydroxybenzonitrile