2-Bromo-7-methylnaphthalene

CAT: 0127-OR1071750-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071750-01Size:50 mg

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CAS Number

187746-76-5

MDL Number

MFCD17012536

Purity

95%

Smiles

CC1=CC2=C(C=C1)C=CC(Br)=C2

Chemical Information

2-Bromo-7-methylnaphthalene

CAS Number	187746-76-5
PubChem CID	15321336
IUPAC Name	2-bromo-7-methylnaphthalene
Molecular Formula	C11H9Br
Molecular Weight	221.09
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

CC1=CC2=C(C=C1)C=CC(=C2)Br

InChI

InChI=1S/C11H9Br/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7H,1H3

InChIKey

QPVFMEFJFFQONP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 187746-76-5

CID: 15321336

Formula: C11H9Br

MW: 221.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.09
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	219.98876
Monoisotopic Mass	219.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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
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OR470814-01	2-Methoxy-7-methylnaphthalene
OR1083558-01	1-bromo-2-methoxy-3-methylnaphthalene
OR1054610	3-Bromo-1-methylnaphthalene
OR80779-01	1-Bromo-4-methylnaphthalene
PC1021484-01	4-Bromo-1-fluoro-2-methylnaphthalene
OR91481-01	1-Bromo-8-methylnaphthalene

Catalog	Name
IBA29535-01	7-Bromo-1-methylnaphthalene
HAA51127-01	1-Bromo-7-methylnaphthalene
416217-01	2-Bromo-6-methylnaphthalene
VAA60122	2-Bromo-1-methylnaphthalene
sc-237478	1-Bromo-2-methylnaphthalene
sc-321575A	2-Bromo-3-methylnaphthalene
AMB44282-01	1-Bromo-5-fluoro-2-methylnaphthalene
B22585-01	1-Bromo-2-methylnaphthalene Tech. Grade
IBA29537	1-Bromo-8-methylnaphthalene
FB173013-01	1-Bromo-4-methylnaphthalene