4-bromo-2-[(hydroxyimino)methyl]-6-methoxyphenol

4-bromo-2-[(hydroxyimino)methyl]-6-methoxyphenol

CAS: 7396-69-2

Formula: C8H8BrNO3

SMILES: COC1=C(O)C(C=NO)=CC(Br)=C1

IUPAC: 4-bromo-2-[(hydroxyimino)methyl]-6-methoxyphenol

InChI: InChI=1S/C8H8BrNO3/c1-13-7-3-6(9)2-5(4-10-12)8(7)11/h2-4,11-12H,1H3

Composition: C (39.05%), H (3.28%), Br (32.47%), N (5.69%), O (19.51%)

Molar Mass: 246.06

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.968756
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IRKJWHRHLJBZSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.53
Topological Polar Surface Area	62.05
Polarizability	19.69
Ring Count	1
Rotatable Bond Count	2

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