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1083181-36-5

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1083181-36-5 Structure

1083181-36-5 Structure
IdentificationBack Directory
[Name]

4-BroMo-2-cyanoMethylbenzoic acid Methyl ester
[CAS]

1083181-36-5
[Synonyms]

Methyl 4-bromo-2-(cyanomethyl)
Methyl 4-bromo-2-(cyanomethyl)benzoate
4-BroMo-2-cyanoMethylbenzoic acid Methyl ester
Benzoic acid, 4-bromo-2-(cyanomethyl)-, methyl ester
[Molecular Formula]

C10H8BrNO2
[MDL Number]

MFCD11559034
[MOL File]

1083181-36-5.mol
[Molecular Weight]

254.08
Chemical PropertiesBack Directory
[Boiling point ]

393.7±32.0 °C(Predicted)
[density ]

1.497±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[InChI]

InChI=1S/C10H8BrNO2/c1-14-10(13)9-3-2-8(11)6-7(9)4-5-12/h2-3,6H,4H2,1H3
[InChIKey]

OXXCXDQCAGYFQM-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(Br)C=C1CC#N
Spectrum DetailBack Directory
[Spectrum Detail]

4-BroMo-2-cyanoMethylbenzoic acid Methyl ester(1083181-36-5)1HNMR
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