Cas no 1194-96-3 (methyl 4-chloro-1H-pyrrole-2-carboxylate)

methyl 4-chloro-1H-pyrrole-2-carboxylate structure
1194-96-3 structure
Product Name:methyl 4-chloro-1H-pyrrole-2-carboxylate
CAS No:1194-96-3
MF:C6H6ClNO2
MW:159.570340633392
MDL:MFCD11176523
CID:1069198
PubChem ID:11829727
Update Time:2025-04-20

methyl 4-chloro-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-1H-Pyrrole-2-carboxylic acid methyl ester
    • Methyl 4-chloro-1H-pyrrole-2-carboxylate
    • 1H-Pyrrole-2-carboxylic acid, 4-chloro-, methyl ester
    • SB62611
    • CS-0207712
    • AB01001840-01
    • LD-0232
    • LHGVCFRRQZZMCK-UHFFFAOYSA-N
    • P18992
    • 1194-96-3
    • 2-methoxycarbonyl-4-chloropyrrole
    • MFCD11176523
    • J-522327
    • Z209672926
    • BAA19496
    • Methyl4-chloro-1H-pyrrole-2-carboxylate
    • A892554
    • AKOS005073269
    • DTXSID60473998
    • EN300-112075
    • SCHEMBL1298188
    • methyl 4-chloro-1H-pyrrole-2-carboxylate
    • MDL: MFCD11176523
    • Inchi: 1S/C6H6ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
    • InChI Key: LHGVCFRRQZZMCK-UHFFFAOYSA-N
    • SMILES: ClC1=CNC(C(=O)OC)=C1

Computed Properties

  • Exact Mass: 159.0087061g/mol
  • Monoisotopic Mass: 159.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Melting Point: 100-101°

methyl 4-chloro-1H-pyrrole-2-carboxylate Security Information

  • HazardClass:IRRITANT

methyl 4-chloro-1H-pyrrole-2-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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abcr
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Methyl 4-chloro-1H-pyrrole-2-carboxylate, 95%; .
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