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Home > Nitro Compounds > 774227-60-0
774227-60-0 | 2-cyano-5-nitrobenzoic acid
CAS No: 774227-60-0 Catalog No: AG00GA36 MDL No:
Product Description
Catalog Number:
AG00GA36
Chemical Name:
2-cyano-5-nitrobenzoic acid
CAS Number:
774227-60-0
IUPAC Name:
2-cyano-5-nitrobenzoic acid
InChI:
InChI=1S/C8H4N2O4/c9-4-5-1-2-6(10(13)14)3-7(5)8(11)12/h1-3H,(H,11,12)
InChI Key:
IAOLMNXGRNAFKN-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.13g/mol
Monoisotopic Mass:
192.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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