3-Bromo-5-chloro-2-hydroxybenzophenone

CAT: 0127-OR1127Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

85346-47-0

Synonyms

(3-Bromo-5-chloro-2-hydroxyphenyl) (phenyl) methanone

MDL Number

MFCD02682998

Smiles

Oc1c (Br) cc (Cl) cc1C (=O) c2ccccc2

Chemical Information

3-Bromo-5-chloro-2-hydroxybenzophenone

CAS Number	85346-47-0
PubChem CID	689067
IUPAC Name	(3-bromo-5-chloro-2-hydroxyphenyl)-phenylmethanone
Molecular Formula	C13H8BrClO2
Molecular Weight	311.56
XLogP	4.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	279

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=CC(=C2)Cl)Br)O

InChI

InChI=1S/C13H8BrClO2/c14-11-7-9(15)6-10(13(11)17)12(16)8-4-2-1-3-5-8/h1-7,17H

InChIKey

DAACDYIERDIOLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85346-47-0

CID: 689067

Formula: C13H8BrClO2

MW: 311.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.56
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	309.93962
Monoisotopic Mass	309.93962
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	279
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
OR1128-01	5-Bromo-2'-chloro-2-hydroxybenzophenone
OR1131-01	5-Bromo-2-hydroxybenzophenone
OR27680-01	2'-Amino-5'-chloro-3-hydroxybenzophenone
OR1129	3-Bromo-2',5-dichloro-2-hydroxybenzophenone
PC6504	2'-Chloro-5-fluoro-2-hydroxybenzophenone
PC6505	4'-Bromo-5-fluoro-2-hydroxybenzophenone
PC1866M	4'-Chloro-5-fluoro-2-hydroxybenzophenone
PC6503	5-Fluoro-2-hydroxybenzophenone
BUP13781-01	4-Chloro-4'-hydroxybenzophenone
PC1024174-01	3-bromo-2-chloro-5-fluorobenzonitrile

Catalog	Name
sc-251970	3-Bromo-5-chloro-2-hydroxybenzophenone
sc-233284	5-Bromo-2'-chloro-2-hydroxybenzophenone
TRC-C368250-100MG	5-Chloro-2-hydroxybenzophenone
266241-01	5-Bromo-2-hydroxybenzophenone
261144-01	2-Amino-5-chloro-3'-hydroxybenzophenone
sc-231506	3-Bromo-2',5-dichloro-2-hydroxybenzophenone
sc-479841	2-Amino-5-chloro-4'-hydroxybenzophenone
sc-233106	4'-Chloro-5-fluoro-2-hydroxybenzophenone
233964-01	5-Bromo-2-hydroxybenzophenone 99+% (HPLC)
229818-01	2-Amino-5-chloro-3'-hydroxybenzophenone ≥95% (HPLC)