2-(chloromethyl)benzoic acid

2-(chloromethyl)benzoic acid

CAS: 85888-81-9

Formula: C8H7ClO2

SMILES: OC(=O)C1=CC=CC=C1CCl

IUPAC: 2-(chloromethyl)benzoic acid

InChI: InChI=1S/C8H7ClO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)

Composition: C (56.33%), H (4.14%), Cl (20.78%), O (18.76%)

Molar Mass: 170.59

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.0134572
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YTEUDCIEJDRJTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.18
Topological Polar Surface Area	37.3
Polarizability	16.35
Ring Count	1
Rotatable Bond Count	2

Suppliers

Glentham Life Sciences

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	85888-81-9		$109.14-$1,442.28$109.14$343.74$1,442.28

Struchem co.,ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	85888-81-9		$161.00-$200.00$161.00$200.00