4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenol

4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenol

CAS: 141645-16-1

Formula: C19H17NO5

SMILES: CCCCC1=C(C(=O)C2=CC=C(O)C=C2)C2=CC(=CC=C2O1)[N+]([O-])=O

IUPAC: 4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenol

InChI: InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3

Composition: C (67.25%), H (5.05%), N (4.13%), O (23.57%)

Molar Mass: 339.347

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	339.110672651
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZJZKLBXEGZKOBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.65
Topological Polar Surface Area	93.58
Polarizability	36.11
Ring Count	3
Rotatable Bond Count	6

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