AG001UPS

1642-81-5 | Benzoic acid, 4-(chloromethyl)-

AG001UPS

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CAS Number	1642-81-5
Catalog Number	AG001UPS(AGN-PC-0JLBHF)
Chemical Name	Benzoic acid, 4-(chloromethyl)-
EC Number	216-697-1
IUPAC Name	4-(chloromethyl)benzoic acid
InChI	InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key	OITNBJHJJGMFBN-UHFFFAOYSA-N
MDL Number	MFCD00002568
Molecular Formula	C8H7ClO2
Molecular Weight	170.5930
NSC Number	123935
SMILES	O=C(O)C1=CC=C(CCl)C=C1
Synonyms	4-(Chloromethyl)benzoic acid, 1642-81-5, 4-Chloromethylbenzoic acid, alpha-Chloro-p-toluic acid, Benzoic acid, 4-(chloromethyl)-, C8H7ClO2, 4-Carboxybenzyl chloride, MFCD00002568, 4-Chloromethyl-benzoic acid, alpha-Chloro-p-toluylic acid, .alpha.-Chloro-p-toluylic acid, OITNBJHJJGMFBN-UHFFFAOYSA-N, EINECS 216-697-1, PubChem15446, alpha-chloroparatoluic acid, 4-Chloromethyl benzoic acid, AC1L2LH7, AC1Q3U8K, ACMC-1C04X, SCHEMBL40281, KSC497C8J, ARONIS24269, 4-(chloromethyl)-benzoic acid, CHEMBL101844, Jsp003299, RARECHEM AL BO 0358, CTK3J7184, TIMTEC-BB SBB040672, DTXSID80167726, ALPHA-CHLORO-4-TOLUIC ACID, AC1Q7382, ACT01154, BCP24466, KS-00000ME1, STR04662, ZINC1713271, AKOS BBS-00004025, P-(CHLOROMETHYL)BENZOIC ACID, 4-(Chloromethyl)benzoic acid, 95%, 4-(Chloromethyl)benzoic acid, 98%, ANW-22083, BBL019846, NSC123935, SBB040672, STL254764, AKOS000268707, AC-5913, AS00731, CS-W017672, LS11536, MCULE-3762893562, NSC-123935, RP23300, TRA0085064, AJ-30814, AK-63537, AN-10506, BR-63537, SC-25581, AB0008303, RT-003604, ST2411002, FT-0618223, ST45053935, EN300-15139, KS-00004722, 42C815, M-2805, I01-0172, W-107944, F0001-0596, InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11, C8-H7-Cl-O2, CID74234, AR-1F6783, c1212, ethyl 5-bromo-1H-indole-2-carboxylate, 5-Bromoindole-2-carboxylicacidethylester, A3712, 4-(Chloromethyl)benzoic acid, 98% - 25G 25g, 16732-70-0,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.013g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.592g/mol
Monoisotopic Mass	170.013g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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