2-bromo-6-ethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenol

2-bromo-6-ethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenol

CAS: 312510-61-5

Formula: C11H12BrNO4

SMILES: CCOC1=CC(C=C(/C)[N+]([O-])=O)=CC(Br)=C1O

IUPAC: 2-bromo-6-ethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenol

InChI: InChI=1S/C11H12BrNO4/c1-3-17-10-6-8(4-7(2)13(15)16)5-9(12)11(10)14/h4-6,14H,3H2,1-2H3/b7-4+

Composition: C (43.73%), H (4.00%), Br (26.45%), N (4.64%), O (21.18%)

Molar Mass: 302.124

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.994971
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QBELTRFFIQGQOT-QPJJXVBHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.68
Topological Polar Surface Area	72.6
Polarizability	25.44
Ring Count	1
Rotatable Bond Count	4

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