methyl 3-amino-5-bromo-4-hydroxybenzoate

methyl 3-amino-5-bromo-4-hydroxybenzoate

CAS: 260249-10-3

Formula: C8H8BrNO3

SMILES: COC(=O)C1=CC(N)=C(O)C(Br)=C1

IUPAC: methyl 3-amino-5-bromo-4-hydroxybenzoate

InChI: InChI=1S/C8H8BrNO3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,10H2,1H3

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	3
Hydrogen Bond Donor Count	2
InChIKey	GNQMYGQWBUNZBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.39
Topological Polar Surface Area	72.55
Polarizability	19.51
Ring Count	1
Rotatable Bond Count	2

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Chemcia Scientific, LLC

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