4-bromo-N-cyclopropyl-2-nitroaniline

4-bromo-N-cyclopropyl-2-nitroaniline

CAS: 887351-39-5

Formula: C9H9BrN2O2

SMILES: [O-][N+](=O)C1=CC(Br)=CC=C1NC1CC1

IUPAC: 4-bromo-N-cyclopropyl-2-nitroaniline

InChI: InChI=1S/C9H9BrN2O2/c10-6-1-4-8(11-7-2-3-7)9(5-6)12(13)14/h1,4-5,7,11H,2-3H2

Composition: C (42.05%), H (3.53%), Br (31.08%), N (10.90%), O (12.45%)

Molar Mass: 257.087

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.984741
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HECMECYWHMUTJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.41
Topological Polar Surface Area	55.17
Polarizability	21.07
Ring Count	2
Rotatable Bond Count	3

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