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Home > Nitro Compounds > 93628-02-5
93628-02-5 | 4-Nitrophenol-1,2,6-13C3
CAS No: 93628-02-5 Catalog No: AG00GXRZ MDL No:
Product Description
Catalog Number:
AG00GXRZ
Chemical Name:
4-Nitrophenol-1,2,6-13C3
CAS Number:
93628-02-5
IUPAC Name:
4-nitro(1,2,6-13C3)cyclohexa-1,3,5-trien-1-ol
InChI:
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/i3+1,4+1,6+1
InChI Key:
BTJIUGUIPKRLHP-JYLXJXPXSA-N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.037g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
142.087g/mol
Monoisotopic Mass:
142.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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