methyl 3-bromo-5-[methoxy(methyl)carbamoyl]benzoate

methyl 3-bromo-5-[methoxy(methyl)carbamoyl]benzoate

CAS: 1314892-38-0

Formula: C11H12BrNO4

SMILES: CON(C)C(=O)C1=CC(=CC(Br)=C1)C(=O)OC

IUPAC: methyl 3-bromo-5-[methoxy(methyl)carbamoyl]benzoate

InChI: InChI=1S/C11H12BrNO4/c1-13(17-3)10(14)7-4-8(11(15)16-2)6-9(12)5-7/h4-6H,1-3H3

Composition: C (43.73%), H (4.00%), Br (26.45%), N (4.64%), O (21.18%)

Molar Mass: 302.124

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.994971
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QXZLMYWDUHTFDC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.93
Topological Polar Surface Area	55.84
Polarizability	24.96
Ring Count	1
Rotatable Bond Count	4

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