methyl 2-amino-5-bromo-4-nitrobenzoate

methyl 2-amino-5-bromo-4-nitrobenzoate

CAS: 174566-52-0

Formula: C8H7BrN2O4

SMILES: COC(=O)C1=C(N)C=C(C(Br)=C1)[N+]([O-])=O

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

InChI: InChI=1S/C8H7BrN2O4/c1-15-8(12)4-2-5(9)7(11(13)14)3-6(4)10/h2-3H,10H2,1H3

Composition: C (34.93%), H (2.57%), Br (29.05%), N (10.18%), O (23.27%)

Molar Mass: 275.058

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.95892
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OZQIKUAEJMHDBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.73
Topological Polar Surface Area	95.46
Polarizability	20.92
Ring Count	1
Rotatable Bond Count	3

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