methyl 3-amino-5-bromo-4-methylbenzoate

methyl 3-amino-5-bromo-4-methylbenzoate

CAS: 223519-11-7

Formula: C9H10BrNO2

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

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

InChI: InChI=1S/C9H10BrNO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/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	BXVMWNWKILQIHB-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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