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Home > Nitro Compounds > 4036-83-3
4036-83-3 | 2-MORPHOLINO-5-NITROBENZOIC ACID
CAS No: 4036-83-3 Catalog No: AG00CAI7 MDL No:MFCD00207115
Product Description
Catalog Number:
AG00CAI7
Chemical Name:
2-MORPHOLINO-5-NITROBENZOIC ACID
CAS Number:
4036-83-3
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
MDL Number:
MFCD00207115
IUPAC Name:
2-morpholin-4-yl-5-nitrobenzoic acid
InChI:
InChI=1S/C11H12N2O5/c14-11(15)9-7-8(13(16)17)1-2-10(9)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
MRCONLVSTRNJQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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