4-Bromo-2-naphthaldehyde

CAT: 0127-OR314077Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

874357-11-6

MDL Number

MFCD18410725

Purity

=95%

Smiles

Brc1cc(C=O)cc2ccccc12

Chemical Information

4-Bromonaphthalene-2-carbaldehyde

CAS Number	874357-11-6
PubChem CID	54338128
IUPAC Name	4-bromonaphthalene-2-carbaldehyde
Molecular Formula	C11H7BrO
Molecular Weight	235.08
XLogP	2.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	193

SMILES

C1=CC=C2C(=C1)C=C(C=C2Br)C=O

InChI

InChI=1S/C11H7BrO/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-7H

InChIKey

XXBWXFQJIKOIKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874357-11-6

CID: 54338128

Formula: C11H7BrO

MW: 235.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.08
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	233.96803
Monoisotopic Mass	233.96803
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	193
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

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