5-bromo-1H-pyrrole-3-carbaldehyde

5-bromo-1H-pyrrole-3-carbaldehyde

CAS: 881676-32-0

Formula: C5H4BrNO

SMILES: BrC1=CC(C=O)=CN1

IUPAC: 5-bromo-1H-pyrrole-3-carbaldehyde

InChI: InChI=1S/C5H4BrNO/c6-5-1-4(3-8)2-7-5/h1-3,7H

Composition: C (34.51%), H (2.32%), Br (45.92%), N (8.05%), O (9.19%)

Molar Mass: 173.997

Atom Count: 12

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.947627
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XTLHTMDWLYWDEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.81
Topological Polar Surface Area	32.86
Polarizability	12.95
Ring Count	1
Rotatable Bond Count	1

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