Cas no 27178-83-2 (Benzoic acid, nitro-)

Benzoic acid, nitro- structure
Benzoic acid, nitro- structure
Product Name:Benzoic acid, nitro-
CAS No:27178-83-2
MF:C7H5NO4
MW:167.118901968002
CID:1429891
PubChem ID:8497
Update Time:2025-04-20

Benzoic acid, nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, nitro-
    • CS-W020596
    • CCRIS 2335
    • 3-Nitro-benzoic acid
    • Z57127479
    • DTXSID0025737
    • Benzoic acid, 3-nitro-
    • SCHEMBL132618
    • N0154
    • NCGC00257168-01
    • CHEBI:231494
    • W-108445
    • F2191-0133
    • BCP08709
    • m-Nitrobenzenecarboxylic acid
    • NCGC00091521-01
    • Tox21_303250
    • UNII-H318ZW7612
    • PS-5143
    • 121-92-6
    • Q4634183
    • InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10
    • M-CARBOXYNITROBENZENE
    • 3-Nitrobenzoic acid, puriss., 99%
    • BRN 0908644
    • Benzoic acid, m-nitro-
    • HSDB 6028
    • EINECS 204-508-5
    • H318ZW7612
    • WLN: WNR CVQ
    • 3-NITROBENZOIC ACID [HSDB]
    • CHEMBL274839
    • BENZOIC ACID,3-NITRO MFC7 H5 N1 O4
    • STR01384
    • NSC-9801
    • NCGC00091521-03
    • 3-Nitrobenzoic acid, ReagentPlus(R), 99%
    • 3-Nitrobenzoic acid, Vetec(TM) reagent grade, 98%
    • DTXCID605737
    • 3-Nitrobenzoic acid, purum, >=98.0% (HPLC)
    • AMY21879
    • 27178-83-2
    • 3-NITROBENZOICACID
    • NS00019769
    • NCGC00258790-01
    • Tox21_201238
    • meta-Nitrobenzoic acid
    • EN300-18006
    • CAS-121-92-6
    • 3-nitro benzoic acid
    • NCGC00091521-02
    • NSC 9801
    • STK301724
    • AKOS000119012
    • NSC9801
    • Metanitrobenzoic acid
    • m-Nitrobenzoic acid
    • AC-2834
    • SCHEMBL17347335
    • AI3-09015
    • MFCD00007251
    • HY-Y1313
    • 3-NITROBENZOIC ACID
    • Inchi： 1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
    • InChI Key： AFPHTEQTJZKQAQ-UHFFFAOYSA-N
    • SMILES： OC(C1C=CC=C(C=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 167.02185
  • Monoisotopic Mass: 153.021951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 28.2
  • XLogP3: 1.8

Experimental Properties

  • PSA: 80.44
  • LogP: log Kow = 1.83

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