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名称
3-硝基苯甲酸甲酯
别名
间硝基苯甲酸甲酯
英文别名
N0157 | Benzoic acid, 3-nitro-, methyl ester | InChI=1/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H | 3-NITRO-BENZOICACIMETHYLESTER | Methyl 3-nitrobenzoate | methyl 3-nitro-benzoate | FT-0628575 | EINECS 210-573-0 | Q4291746 | 3-Nitrobenzoic Acid Me
英文名称
Methyl 3-Nitrobenzoate
货号
M136976-100g
包装规格
100g
浓度
≥98%(GC)
运输条件
常规运输
CAS号
618-95-1
分子式
C8H7NO4
分子量
181.15 g/mol
Beilstein号
9378
MDL号
MFCD00007250
PubChem编号
69260
Isomeric SMILES
COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
IIUPAC Name
methyl 3-nitrobenzoate
INCHI
1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChi Key
AXLYJLKKPUICKV-UHFFFAOYSA-N
Smiles
COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
PubChem SID
488184271
熔点
78 °C
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
4
可旋转键计数Rotatable Bond Count
2
精确质量Exact Mass
181.038 Da
单同位素质量Monoisotopic Mass
181.038 Da
拓扑极表面积Topological Polar Surface Area
72.100 Ų
重原子数Heavy Atom Count
13
形式电荷Formal Charge
0
复杂度Complexity
211.000
同位素原子数Isotope Atom Count
0
共价键合单元计数Covalently-Bonded Unit Count
1
XLogP3
1.900
沸点
279 °C
Reaxy-Rn
392449
Safety
「No Dangerous Attributes」
Related
「No upstream and downstream information yet」
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Research chemical 100g; ≥98%; GC

Research chemical 100g; ≥98%; GC; supplied for laboratory research, analysis, inspection, and scientific procurement use; specifications: 100g; ≥98%; GC.

item number:M136976-100g
Product model:100g
level: 100g; ≥98%; GC
Lead Time:30days
sold 194 Items
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100g

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