methyl 2-amino-4-bromo-5-methylbenzoate

methyl 2-amino-4-bromo-5-methylbenzoate

CAS: 2092607-42-4

Formula: C9H10BrNO2

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

IUPAC: methyl 2-amino-4-bromo-5-methylbenzoate

InChI: InChI=1S/C9H10BrNO2/c1-5-3-6(9(12)13-2)8(11)4-7(5)10/h3-4H,11H2,1-2H3

Composition: C (44.29%), H (4.13%), Br (32.74%), N (5.74%), O (13.11%)

Molar Mass: 244.088

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.989492
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KWLVCIBVZBHJAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.45
Topological Polar Surface Area	52.32
Polarizability	20.54
Ring Count	1
Rotatable Bond Count	2

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