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3-(4-bromophenyl)-5-methylisoxazole-4-carboxylicacid

3-(4-bromophenyl)-5-methylisoxazole-4-carboxylicacid structure

CAS No:
91182-58-0
Formula:
C11H8BrNO3
Chemical Name:
3-(4-bromophenyl)-5-methylisoxazole-4-carboxylicacid
Synonyms:
3-(4-BROMOPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID;4-Isoxazolecarboxylic acid, 3-(4-bromophenyl)-5-methyl-;3-(4-Bromophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid;SCHEMBL1246411;CTK5G9032;DTXSID30624551;ALBB-019927;2917AF;ZINC13558899;AKOS000264748

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3-(4-bromophenyl)-5-methylisoxazole-4-carboxylicacid Basic Attributes

Molecular Weight：

282.09000

Exact Mass：

280.96900

DSSTox ID：

DTXSID30624551

HScode：

2934999090

Characteristics

PSA：

63.33000

XLogP3：

3.11070

Melting Point：

216-218ºC

Safety Information

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:282.09
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:280.96876
Monoisotopic Mass:280.96876
Topological Polar Surface Area:63.3
Heavy Atom Count:16
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(4-bromophenyl)-5-methylisoxazole-4-carboxylicacid

SDS

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