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名称

3-(2-氯苯基)丙酸

别名

邻氯苯丙酸

英文别名

FS-1539 | 2-Chlorobenzenepropanoic acid | 2-CHLORO-BENZENEPROPANOIC ACID | 3-(2-Chlorophenyl)propanoic acid | 3-(2-chlorophenyl)-propanoic acid | BBL012110 | EN300-06750 | SCHEMBL455219 | SY003324 | FT-0613547 | J-510503 | 3-(2-Chlorophenyl)propionicacid

英文名称

3-(2-Chlorophenyl)propionic acid

货号

C138339-100g

包装规格

100g

浓度

≥98%

运输条件

常规运输

CAS号

1643-28-3

分子式

C9H9ClO2

分子量

184.62 g/mol

EC号

PubChem SID: 488186929

PubChem编号

95676

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)O)Cl

IIUPAC Name

3-(2-chlorophenyl)propanoic acid

INCHI

1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

InChi Key

KZMDFTFGWIVSNQ-UHFFFAOYSA-N

Smiles

C1=CC=C(C(=C1)CCC(=O)O)Cl

PubChem SID

488186929

熔点

94-97°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

184.029 Da

单同位素质量Monoisotopic Mass

184.029 Da

拓扑极表面积Topological Polar Surface Area

37.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

159.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.300

沸点

171°C

Reaxy-Rn

1866789

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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