Product Name2-Chloro-3-nitrobenzoic acid
CAS3970-35-2
Molecular FormulaC7H4ClNO4
Molecular Weight201.56
InChIInChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
InChIKey JRQDVRIQJJPHEQ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC([N+]([O-])=O)=C1Cl
Mass
MS-NW-7209 2-chloro-3-nitrobenzoic acid C7H4ClNO4 (Mass of molecular ion: 201)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 3.0 18.0 10.9 26.0 1.6 27.0 1.8 28.0 5.5 29.0 1.4 30.0 65.9 35.0 1.0 36.0 2.1 37.0 9.0 38.0 7.2 39.0 9.8 44.0 1.4 45.0 11.8 46.0 2.8 47.0 1.0 49.0 6.0 50.0 21.1 51.0 17.6 52.0 1.8 53.0 5.8 55.0 1.9 60.0 1.3 61.0 5.5 62.0 6.6 63.0 33.2 64.0 9.1 65.0 2.4 66.0 1.4 72.0 3.2 73.0 27.5 74.0 41.9 75.0 68.7 76.0 7.5 77.0 2.1 79.0 2.6 84.0 11.9 85.0 5.4 86.0 5.0 87.0 5.6 88.0 1.0 89.0 2.1 90.0 1.1 91.0 35.3 92.0 15.3 93.0 1.6 97.0 1.1 98.0 1.9 99.0 82.8 100.0 5.2 101.0 27.4 102.0 1.6 107.0 14.4 108.0 4.6 109.0 4.5 110.0 16.8 111.0 2.9 112.0 5.5 115.0 29.9 116.0 2.0 117.0 9.7 119.0 24.5 120.0 2.4 121.0 1.8 126.0 4.0 127.0 4.0 128.0 1.7 129.0 1.3 137.0 1.2 138.0 11.3 139.0 1.4 140.0 3.7 143.0 22.6 144.0 1.6 145.0 7.8 155.0 4.7 157.0 1.6 167.0 1.0 171.0 38.9 172.0 2.9 173.0 13.3 174.0 1.1 184.0 6.7 185.0 2.8 186.0 2.5 201.0 100.0 202.0 8.7 203.0 32.6 204.0 3.0
DMSO-d6
KBr disc
nujol mull
2-Chloro-3-nitrobenzoic acid(3970-35-2) IR2 Atlas of Related Products
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