methyl 2-bromo-3-formylbenzoate

methyl 2-bromo-3-formylbenzoate

CAS: 750585-94-5

Formula: C9H7BrO3

SMILES: COC(=O)C1=CC=CC(C=O)=C1Br

IUPAC: methyl 2-bromo-3-formylbenzoate

InChI: InChI=1S/C9H7BrO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3

Composition: C (44.47%), H (2.90%), Br (32.87%), O (19.75%)

Molar Mass: 243.056

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.957857
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CNQNIZZOOUMRHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.29
Topological Polar Surface Area	43.37
Polarizability	19.6
Ring Count	1
Rotatable Bond Count	3

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