9-bromo-10-nitrophenanthrene

C14H8BrNO2 — CID 5166828

IUPAC9-bromo-10-nitrophenanthrene
SMILESO=[N+]([O-])c1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C14H8BrNO2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(17)18/h1-8H
InChIKeyXHJCHUVWJCDJPN-UHFFFAOYSA-N
MW302.13 g/mol
LogP4.66
Rot. Bonds1

About 9-bromo-10-nitrophenanthrene

9-bromo-10-nitrophenanthrene (PubChem CID 5166828) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 9-bromo-10-nitrophenanthrene.

Molecular Properties

Compound Name9-bromo-10-nitrophenanthrene
PubChem CID5166828
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name9-bromo-10-nitrophenanthrene
SMILESO=[N+]([O-])c1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C14H8BrNO2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(17)18/h1-8H
InChIKeyXHJCHUVWJCDJPN-UHFFFAOYSA-N
XLogP4.66
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-chloro-10-nitroanthracene
CID 44718980
1-bromo-2-methyl-4-nitronaphthalene
CID 121218286
1,3-dichloro-4-nitroisoquinoline
CID 163932905
5-bromo-1-nitronaphthalen-2-amine
CID 10801757
1,3,6,8-tetrabromo-2-nitropyrene
CID 172792221
1,2,4-tribromo-3-nitrobenzene
CID 118837685
3,4-dinitronaphthalene-1,2-disulfonic acid
CID 21395915
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
3-bromo-2-nitrobenzenesulfonyl chloride
CID 99771083
(10-nitroanthracen-9-yl) acetate
CID 177437243
3-bromo-1-methoxy-4-nitroquinolin-1-ium perchlorate
CID 10407635
1,2,3-trinitronaphthalene
CID 22719066

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-nitrophenanthrene?
The IUPAC name of 9-bromo-10-nitrophenanthrene (CID 5166828) is 9-bromo-10-nitrophenanthrene.
What is the SMILES notation for 9-bromo-10-nitrophenanthrene?
The canonical SMILES for 9-bromo-10-nitrophenanthrene is O=[N+]([O-])c1c(Br)c2ccccc2c2ccccc12.
What is the InChIKey of 9-bromo-10-nitrophenanthrene?
The InChIKey is XHJCHUVWJCDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(17)18/h1-8H.
What are the key properties of 9-bromo-10-nitrophenanthrene?
9-bromo-10-nitrophenanthrene has a molecular weight of 302.13 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-nitrophenanthrene is sourced from PubChem (CID 5166828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).