1-(3-chloro-4,5-difluorophenyl)methanamine

1-(3-chloro-4,5-difluorophenyl)methanamine

CAS: 1260826-45-6

Formula: C7H6ClF2N

SMILES: NCC1=CC(Cl)=C(F)C(F)=C1

IUPAC: 1-(3-chloro-4,5-difluorophenyl)methanamine

InChI: InChI=1S/C7H6ClF2N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2

Composition: C (47.35%), H (3.41%), Cl (19.96%), F (21.40%), N (7.89%)

Molar Mass: 177.58

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.0156832
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	UIPPQUMJLKNZIK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.77
Topological Polar Surface Area	26.02
Polarizability	15.07
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260826-45-6		$1,960.00-$5,040.00$1,960.00$2,860.00$5,040.00