1-[bromo(2H2)methyl](1-2H)cyclopropane

• ChemBase编号: 162960
• 分子式: C4H7Br
• 平均质量: 135.00238
• 单一同位素质量: 133.97311222
• SMILES: C1CC1CBr
• Canonical SMILES: BrCC1CC1
• InChI: InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
• InChIKey: AEILLAXRDHDKDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[bromo(^2H₂)methyl](1-^2H)cyclopropane
• IUPAC传统名: 1-[bromo(^2H₂)methyl](1-^2H)cyclopropane
• 别名: 1-(Bromomethyl-d2)cyclopropane-d1; Cyclopropanemethyl-d3 Bromide; Cyclopropylcarbinyl-d3 Bromide; Cyclopropylmethyl-d3 Bromide; (Bromomethyl-d2)cyclopropane-1-d1

登记号

• CAS号: 1219799-17-3
• PubChem SID: 162257095
• PubChem CID: 71314256

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.8020873
• LogD (pH = 7.4): 1.8020873
• Log P: 1.8020873
• 摩尔折射率: 26.2378 cm^3
• 极化性: 10.160488 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B685332

Labelled Bromomethylcyclopropane.