2-Bromo-4,6-dichlorobenzaldehyde

CAT: 0127-OR1096726Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1096726Size:1 g

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CAS Number

1314031-89-4

MDL Number

MFCD29088126

Purity

95%

Smiles

C1c (cc (c (c1Cl) C=O) Br) Cl

Chemical Information

2-Bromo-4,6-dichlorobenzaldehyde

CAS Number	1314031-89-4
PubChem CID	121229088
IUPAC Name	2-bromo-4,6-dichlorobenzaldehyde
Molecular Formula	C7H3BrCl2O
Molecular Weight	253.90
XLogP	3.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

C1=C(C=C(C(=C1Cl)C=O)Br)Cl

InChI

InChI=1S/C7H3BrCl2O/c8-6-1-4(9)2-7(10)5(6)3-11/h1-3H

InChIKey

FPAPSKIUGCNLQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1314031-89-4

CID: 121229088

Formula: C7H3BrCl2O

MW: 253.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.90
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	251.87443
Monoisotopic Mass	251.87443
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
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
OR79625-01	4-Bromo-2,6-dichlorobenzaldehyde
OR1100010	6-Bromo-2,3-dichlorobenzaldehyde
OR1096440	2-Bromo-3,6-dichlorobenzaldehyde
OR1037508-01	3-Bromo-2,6-dichlorobenzaldehyde
OR1098806-01	3-Bromo-2,4-dichlorobenzaldehyde
OR1087106-01	2-Bromo-3,4-dichlorobenzaldehyde
OR71084	4-Bromo-2,5-dichlorobenzaldehyde
OR111620	5-Bromo-2,4-dichlorobenzaldehyde
OR1099101	4-bromo-2,3-dichlorobenzaldehyde
OR50939	2-Bromo-4,5-dichlorobenzaldehyde

Catalog	Name
430914-01	4-Bromo-2,6-dichlorobenzaldehyde
VMB99986-01	6-Bromo-2,3-dichlorobenzaldehyde
FD21656-01	2,6-Dichlorobenzaldehyde
HDA48681-01	2-Amino-4,6-dichlorobenzaldehyde
RG-D030808-01	2,4-Dichlorobenzaldehyde
FD70433-01	2,6-Dichlorobenzaldehyde oxime
GAA57528-01	(E) -2,6-Dichlorobenzaldehyde oxime
FD71178-01	3,4-Dichlorobenzaldehyde
0976E 00500	2,4-Dichlorobenzaldehyde 97.5%