1-Chloronaphthalene

CAT: 0024-sc-253923Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-253923Size:100 g

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CAS Number

90-13-1

Chemical Information

1-Chloronaphthalene

1-chloronaphthalene is a clear colorless to amber oily viscous liquid. (NTP, 1992)

CAS Number	90-13-1
PubChem CID	7003
IUPAC Name	1-chloronaphthalene
Molecular Formula	C10H7Cl
Molecular Weight	162.61
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	11
Formal Charge	0
Complexity	133

SMILES

C1=CC=C2C(=C1)C=CC=C2Cl

InChI

InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChIKey

JTPNRXUCIXHOKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90-13-1

CID: 7003

Formula: C10H7Cl

MW: 162.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.61
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	162.0236279
Monoisotopic Mass	162.0236279
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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-237462A	1-Amino-4-chloronaphthalene
sc-237462	1-Amino-4-chloronaphthalene
sc-256117	2-Chloronaphthalene
sc-210314	5-Chloronaphthalene-1-sulfonyl Chloride
sc-507060	8-Chloronaphthalene-1-sulphonic acid
sc-268439	8-Chloronaphthalene-1-sulfonic acid dihydrate
sc-504004	2-Bromo-6-chloronaphthalene
sc-210315	5-Chloronaphthalene-2-sulfonyl Chloride
sc-291305	6-Chloronaphthalene-2-sulfonic acid
sc-291305A	6-Chloronaphthalene-2-sulfonic acid

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