methyl 2-amino-3,5-dibromobenzoate

methyl 2-amino-3,5-dibromobenzoate

CAS: 606-00-8

Formula: C8H7Br2NO2

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

IUPAC: methyl 2-amino-3,5-dibromobenzoate

InChI: InChI=1S/C8H7Br2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3

Composition: C (31.10%), H (2.28%), Br (51.73%), N (4.53%), O (10.36%)

Molar Mass: 308.957

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	306.884354
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NGXVMFCGYYHEGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.03
Topological Polar Surface Area	52.32
Polarizability	21.91
Ring Count	1
Rotatable Bond Count	2

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