Home Nitros Benzoic acid, 4-formyl-3-nitro- (9CI)

Benzoic acid, 4-formyl-3-nitro- (9CI)

CAS No.:
604000-99-9
Catalog Number:
AG00ELP1
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
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Product Description
Catalog Number:
AG00ELP1
Chemical Name:
Benzoic acid, 4-formyl-3-nitro- (9CI)
CAS Number:
604000-99-9
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
MDL Number:
MFCD18826156
IUPAC Name:
4-formyl-3-nitrobenzoic acid
InChI:
InChI=1S/C8H5NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-4H,(H,11,12)
InChI Key:
NGLYFQZZXYWIRA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.13g/mol
Monoisotopic Mass:
195.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties