| CAS Number: 122310-47-8 1-(4-bromophenyl)-4,4,4-trifluorobutan-1-ol |
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| General Information | ||||||
| Product Number: 122310478
CAS Registry Number: 122310-47-8
Name:
Benzenemethanol, 4-bromo-α-(3,3,3-trifluoropropyl)-
Chemical Formula: C10H10BrF3O
Exact Mass: 281.99
Molecular Weight: 283.09
m/z: 281.99 (100.0%), 283.98 (97.3%), 282.99 (11.0%), 284.99 (10.7%)
Elemental Analysis: C, 42.43; H, 3.56; Br, 28.23; F, 20.13; O, 5.65
InChI: InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
InChIKey: NWIBSHFKIJFRCO-WUDYKRTCSA-N
Canonical SMILES : CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N
Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N
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Specification |
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98% |
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