methyl 3-amino-5-bromo-2-hydroxybenzoate

methyl 3-amino-5-bromo-2-hydroxybenzoate

CAS: 141761-82-2

Formula: C8H8BrNO3

SMILES: COC(=O)C1=CC(Br)=CC(N)=C1O

IUPAC: methyl 3-amino-5-bromo-2-hydroxybenzoate

InChI: InChI=1S/C8H8BrNO3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/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	OLJRJOTYBRIVQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.39
Topological Polar Surface Area	72.55
Polarizability	19.5
Ring Count	1
Rotatable Bond Count	2

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