methyl 2-amino-5-bromo-3-methoxybenzoate

methyl 2-amino-5-bromo-3-methoxybenzoate

CAS: 115378-21-7

Formula: C9H10BrNO3

SMILES: COC(=O)C1=CC(Br)=CC(OC)=C1N

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

InChI: InChI=1S/C9H10BrNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3

Composition: C (41.56%), H (3.88%), Br (30.72%), N (5.39%), O (18.45%)

Molar Mass: 260.087

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.984406
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RVTIPPUCNSLRLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.87
Topological Polar Surface Area	61.55
Polarizability	21.37
Ring Count	1
Rotatable Bond Count	3

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