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Home > Nitro Compounds > 902-47-6
902-47-6 | 4-NITROBENZOIC ANHYDRIDE
CAS No: 902-47-6 Catalog No: AG00GUT6 MDL No:MFCD00185124
Product Description
Catalog Number:
AG00GUT6
Chemical Name:
4-NITROBENZOIC ANHYDRIDE
CAS Number:
902-47-6
Molecular Formula:
C14H8N2O7
Molecular Weight:
316.2225
MDL Number:
MFCD00185124
IUPAC Name:
(4-nitrobenzoyl) 4-nitrobenzoate
InChI:
InChI=1S/C14H8N2O7/c17-13(9-1-5-11(6-2-9)15(19)20)23-14(18)10-3-7-12(8-4-10)16(21)22/h1-8H
InChI Key:
JYMVSZGJZRQOFY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])OC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
147485
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.225g/mol
Monoisotopic Mass:
316.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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