6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one

HCID 2797142
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Basic information

CAS
19165-25-4
Standard SMILES
Cc1nc2ccc(Br)cc2c(=O)o1
InChIKey
JCRULBKTDUOWMP-UHFFFAOYSA-N
Molecular formula
C9H6BrNO2
Average molar mass
240.05 g/mol
Monoisotopic mass
238.95819053

Names & identifiers

Preferred name
6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one
IUPAC
6-bromo-2-methyl-3,1-benzoxazin-4-one
English name
6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one
Molecular formula
C9H6BrNO2
Molecular weight
240.05

Names & synonyms

19165-25-46-Bromo-2-methyl-4H-3,1-benzoxazin-4-oneDTXSID20383887RefChem:307439DTXCID803349116-bromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one6-bromo-2-methyl-3,1-benzoxazin-4-oneMFCD001158914H-3,1-Benzoxazin-4-one, 6-bromo-2-methyl-6-Bromo-2-methylbenzo[d][1,3]oxazin-4-one6-bromo-2-methyl-benzo[d][1,3]oxazin-4-oneA1COR
Show more names
Maybridge1_000764SCHEMBL3541523HMS543K16JCRULBKTDUOWMP-UHFFFAOYSA-NAKOS002232758CCG-234788BS-21975SY364239

Database identifiers

CAS
19165-25-4
PubChem CID
2797142
DTXSID
DTXSID20383887

Properties

Computed structural properties

XLogP
2
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
122 °C · 122 °C
Boiling point
352 · 352.0±44.0 °C(Predicted)
Density
1.7 · 1.70±0.1 g/cm3(Predicted)
pka
0.7 · 0.70±0.20(Predicted)
Sensitive
Air Sensitive

Chemistry & industry

Upstream & downstream products

Suppliers29 total

宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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