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4771-47-5,MFCD00007087
Catalog No.:AA003J4L
4771-47-5 | 3-Chloro-2-nitrobenzoic acid
Pack Size
Purity
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Quantity
  
250mg
95%
in stock  
$9.00   $6.00
- +
1g
95%
in stock  
$12.00   $8.00
- +
5g
95%
in stock  
$16.00   $11.00
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10g
95%
in stock  
$25.00   $17.00
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25g
95%
in stock  
$52.00   $36.00
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100g
≥98%
in stock  
$191.00   $134.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J4L
Chemical Name:
3-Chloro-2-nitrobenzoic acid
CAS Number:
4771-47-5
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007087
IUPAC Name:
3-chloro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
VCHSXYHBMFKRBK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cccc1C(=O)O
EC Number:
225-313-1
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.983g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.562g/mol
Monoisotopic Mass:
200.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3-CHLORO-2-NITROBENZOIC ACID 
4771-47-5 
chloro-2-nitrobenzoic acid 
ACMC-209ka6 
AC1L2H7L 
3-chloro2-nitrobenzoic acid 
KSC237S1N 
SCHEMBL206197 
BEN239 
Benzoicacid, 3-chloro-2-nitro- 
CTK1D7916 
DTXSID70197259 
Benzoic acid, 3-chloro-2-nitro- 
ACT00855 
KS-00000CG7 
ZINC2037605 
ANW-30556 
GEO-00754 
SBB028527 
TD1204 
WT2227 
3-Chloro-2-nitrobenzoic acid, 97% 
AKOS005254524 
MFCD00007087 
AB00833 
AC-3191 
CS-W002020 
DS-0880 
MCULE-8112793088 
RP25879 
RP25882 
RTC-061443 
TRA0014959 
VZ26587 
3-Chloro-2-nitrobenzoicacid 
AJ-33083 
AK-35285 
AN-13222 
BP-11473 
BR-35285 
SC-13684 
SY005029 
TL806196 
AB0010261 
DB-051471 
3-chloro-2-nitro-benzoic acid 
ST2417621 
TC-061443 
4771-47-5 3-chloro-2-nitrobenzoic acid 
AM20060319 
C0988 
FT-0083075 
FT-0615358 
ST50826766 
MFCD00007087 (98%) 
B-2210 
VCHSXYHBMFKRBK-UHFFFAOYSA-N 
I01-0124 
W-106066 
InChI=1/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11 
C7H4ClNO4 
C7-H4-Cl-N-O4 
CID20902 
ACN-049881 
3-Chloro-2-nitrobenzoic acid, 99% - 1G 1g 
Chlornitrobenzoesaure 
EINECS 225-313-1 
PubChem11043 
Literature

Title: Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20111101

Title: Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20091001

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