1-bromonaphthalene

C10H7Br — CID 7001

IUPAC1-bromonaphthalene
SMILESBrc1cccc2ccccc12
InChIInChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyDLKQHBOKULLWDQ-UHFFFAOYSA-N
MW207.07 g/mol
LogP3.60
Rot. Bonds

About 1-bromonaphthalene

1-bromonaphthalene (PubChem CID 7001) has the molecular formula C10H7Br and a molecular weight of 207.07 g/mol. Its IUPAC name is 1-bromonaphthalene.

Molecular Properties

Compound Name1-bromonaphthalene
PubChem CID7001
Molecular FormulaC10H7Br
Molecular Weight207.07 g/mol
Exact Mass205.97
IUPAC Name1-bromonaphthalene
SMILESBrc1cccc2ccccc12
InChIInChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyDLKQHBOKULLWDQ-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Bromobiphenyl
CID 16449
2,2'-Dibromobiphenyl
CID 83060
2-Bromonaphthalene
CID 11372
2-Bromobiphenyl
CID 16329
9,10-Dibromoanthracene
CID 68226
3,3'-Dibromobiphenyl
CID 153987
2,2',5-Tribromobiphenyl
CID 554868
2,2',5,5'-Tetrabromobiphenyl
CID 591322
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
2,5-Dibromobiphenyl
CID 180583
2,3',5-Tribromobiphenyl
CID 181211

Frequently Asked Questions

What is the IUPAC name of 1-bromonaphthalene?
The IUPAC name of 1-bromonaphthalene (CID 7001) is 1-bromonaphthalene.
What is the SMILES notation for 1-bromonaphthalene?
The canonical SMILES for 1-bromonaphthalene is Brc1cccc2ccccc12.
What is the InChIKey of 1-bromonaphthalene?
The InChIKey is DLKQHBOKULLWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-bromonaphthalene?
1-bromonaphthalene has a molecular weight of 207.07 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonaphthalene is sourced from PubChem (CID 7001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).