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Home > Nitro Compounds > 1283118-87-5
1283118-87-5 | 4-formyl-2-nitrobenzoic acid
CAS No: 1283118-87-5 Catalog No: AG01BZ7T MDL No:MFCD28357264
Product Description
Catalog Number:
AG01BZ7T
Chemical Name:
4-formyl-2-nitrobenzoic acid
CAS Number:
1283118-87-5
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
MDL Number:
MFCD28357264
IUPAC Name:
4-formyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H5NO5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-4H,(H,11,12)
InChI Key:
BXRTUCCEGAHNBJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[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:
0.9
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