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23205-12-1 | Benzoic acid, 3-[(cyclopropylcarbonyl)amino]-5-nitro-
CAS No: 23205-12-1 Catalog No: AG002MIO MDL No:
Product Description
Catalog Number:
AG002MIO
Chemical Name:
Benzoic acid, 3-[(cyclopropylcarbonyl)amino]-5-nitro-
CAS Number:
23205-12-1
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
3-(cyclopropanecarbonylamino)-5-nitrobenzoic acid
InChI:
InChI=1S/C11H10N2O5/c14-10(6-1-2-6)12-8-3-7(11(15)16)4-9(5-8)13(17)18/h3-6H,1-2H2,(H,12,14)(H,15,16)
InChI Key:
IAMMJDXYMKFTIL-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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