31719-77-4
3-(CHLOROMETHYL)BENZOIC ACID
Name
3-(CHLOROMETHYL)BENZOIC ACID
Formula
C8 H7 Cl O2
MolWeight
170.594
1Identification
【Name】
3-(CHLOROMETHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD00191922
【English Synonyms】
【Formula】
C8 H7 Cl O2
【MolWeight】
170.594
【Inchi】
InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
【InChIKey】
InChIKey=PBSUMBYSVFTMNG-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)O)CCl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
3-(CHLOROMETHYL)BENZOIC ACID.cml
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